4-amino-6-[(E)-1-amino-3-(2-methoxyethylimino)prop-1-en-2-yl]pyrido[3,2-d]pyrimidine-8-carboxamide;tert-butyl piperidine-1-carboxylate

C24H36N8O4 — CID 169243039

IUPAC4-amino-6-[(E)-1-amino-3-(2-methoxyethylimino)prop-1-en-2-yl]pyrido[3,2-d]pyrimidine-8-carboxamide;tert-butyl piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCCC1.COCC/N=C/C(=C\N)c1cc(C(N)=O)c2ncnc(N)c2n1
InChIInChI=1S/C14H17N7O2.C10H19NO2/c1-23-3-2-18-6-8(5-15)10-4-9(14(17)22)11-12(21-10)13(16)20-7-19-11;1-10(2,3)13-9(12)11-7-5-4-6-8-11/h4-7H,2-3,15H2,1H3,(H2,17,22)(H2,16,19,20);4-8H2,1-3H3/b8-5+,18-6+;
InChIKeyBRWMASCSKURWNU-KQECNEJESA-N
MW500.60 g/mol
LogP2.13
Rot. Bonds6

About 4-amino-6-[(E)-1-amino-3-(2-methoxyethylimino)prop-1-en-2-yl]pyrido[3,2-d]pyrimidine-8-carboxamide;tert-butyl piperidine-1-carboxylate

4-amino-6-[(E)-1-amino-3-(2-methoxyethylimino)prop-1-en-2-yl]pyrido[3,2-d]pyrimidine-8-carboxamide;tert-butyl piperidine-1-carboxylate (PubChem CID 169243039) has the molecular formula C24H36N8O4 and a molecular weight of 500.60 g/mol. Its IUPAC name is 4-amino-6-[(E)-1-amino-3-(2-methoxyethylimino)prop-1-en-2-yl]pyrido[3,2-d]pyrimidine-8-carboxamide;tert-butyl piperidine-1-carboxylate.

Molecular Properties

Compound Name4-amino-6-[(E)-1-amino-3-(2-methoxyethylimino)prop-1-en-2-yl]pyrido[3,2-d]pyrimidine-8-carboxamide;tert-butyl piperidine-1-carboxylate
PubChem CID169243039
Molecular FormulaC24H36N8O4
Molecular Weight500.60 g/mol
Exact Mass500.29
IUPAC Name4-amino-6-[(E)-1-amino-3-(2-methoxyethylimino)prop-1-en-2-yl]pyrido[3,2-d]pyrimidine-8-carboxamide;tert-butyl piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCCC1.COCC/N=C/C(=C\N)c1cc(C(N)=O)c2ncnc(N)c2n1
InChIInChI=1S/C14H17N7O2.C10H19NO2/c1-23-3-2-18-6-8(5-15)10-4-9(14(17)22)11-12(21-10)13(16)20-7-19-11;1-10(2,3)13-9(12)11-7-5-4-6-8-11/h4-7H,2-3,15H2,1H3,(H2,17,22)(H2,16,19,20);4-8H2,1-3H3/b8-5+,18-6+;
InChIKeyBRWMASCSKURWNU-KQECNEJESA-N
XLogP2.13
TPSA184.93 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.60
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 4-amino-6-[(E)-1-amino-3-(2-methoxyethylimino)prop-1-en-2-yl]pyrido[3,2-d]pyrimidine-8-carboxamide;tert-butyl piperidine-1-carboxylate with MolForge

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Related Compounds

tert-butyl 4-[3-amino-4-carbamoyl-2-(2-methoxyethyliminomethyl)phenyl]piperazine-1-carboxylate
CID 176741555
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CID 144666174
tert-butyl (3S)-3-[[8-carbamoyl-6-[6-(2-methoxyethoxy)-3-pyridinyl]pyrido[3,2-d]pyrimidin-4-yl]amino]piperidine-1-carboxylate;6-[6-(2-methoxyethoxy)-3-pyridinyl]-4-[[(3S)-piperidin-3-yl]amino]pyrido[3,2-d]pyrimidine-8-carboxamide
CID 175949200
tert-butyl azacyclopentadecane-1-carboxylate
CID 11771344
tert-butyl 4-[2-[[3-amino-2-[6-(cyclopentylcarbamothioylamino)-1,5-naphthyridin-3-yl]prop-2-enylidene]amino]ethyl]piperazine-1-carboxylate
CID 144521313
azane;tert-butyl piperidine-1-carboxylate
CID 134583959
tert-butyl piperidine-1-carboxylate;2-chloro-5-fluoropyrimidin-4-amine
CID 153398411
tert-butyl 4-[[6-[5-(1-amino-3-methyliminoprop-1-en-2-yl)-6-methoxy-2-pyridinyl]pyridazin-3-yl]amino]piperidine-1-carboxylate
CID 163672734
aniline;tert-butyl piperidine-1-carboxylate
CID 142463276
tert-butyl piperidine-1-carboxylate;6-chloro-1,5-naphthyridine-3,4-diamine
CID 144847195
tert-butyl 4-[3-[[3-amino-2-[6-[(1-methylcyclopentyl)carbamoylamino]-1,5-naphthyridin-3-yl]prop-2-enylidene]amino]propyl]piperazine-1-carboxylate
CID 144521267
tert-butyl pyrrolidine-1-carboxylate;ethane;methanol
CID 142181784

Frequently Asked Questions

What is the IUPAC name of 4-amino-6-[(E)-1-amino-3-(2-methoxyethylimino)prop-1-en-2-yl]pyrido[3,2-d]pyrimidine-8-carboxamide;tert-butyl piperidine-1-carboxylate?
The IUPAC name of 4-amino-6-[(E)-1-amino-3-(2-methoxyethylimino)prop-1-en-2-yl]pyrido[3,2-d]pyrimidine-8-carboxamide;tert-butyl piperidine-1-carboxylate (CID 169243039) is 4-amino-6-[(E)-1-amino-3-(2-methoxyethylimino)prop-1-en-2-yl]pyrido[3,2-d]pyrimidine-8-carboxamide;tert-butyl piperidine-1-carboxylate.
What is the SMILES notation for 4-amino-6-[(E)-1-amino-3-(2-methoxyethylimino)prop-1-en-2-yl]pyrido[3,2-d]pyrimidine-8-carboxamide;tert-butyl piperidine-1-carboxylate?
The canonical SMILES for 4-amino-6-[(E)-1-amino-3-(2-methoxyethylimino)prop-1-en-2-yl]pyrido[3,2-d]pyrimidine-8-carboxamide;tert-butyl piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCCC1.COCC/N=C/C(=C\N)c1cc(C(N)=O)c2ncnc(N)c2n1.
What is the InChIKey of 4-amino-6-[(E)-1-amino-3-(2-methoxyethylimino)prop-1-en-2-yl]pyrido[3,2-d]pyrimidine-8-carboxamide;tert-butyl piperidine-1-carboxylate?
The InChIKey is BRWMASCSKURWNU-KQECNEJESA-N. The full InChI is InChI=1S/C14H17N7O2.C10H19NO2/c1-23-3-2-18-6-8(5-15)10-4-9(14(17)22)11-12(21-10)13(16)20-7-19-11;1-10(2,3)13-9(12)11-7-5-4-6-8-11/h4-7H,2-3,15H2,1H3,(H2,17,22)(H2,16,19,20);4-8H2,1-3H3/b8-5+,18-6+;.
What are the key properties of 4-amino-6-[(E)-1-amino-3-(2-methoxyethylimino)prop-1-en-2-yl]pyrido[3,2-d]pyrimidine-8-carboxamide;tert-butyl piperidine-1-carboxylate?
4-amino-6-[(E)-1-amino-3-(2-methoxyethylimino)prop-1-en-2-yl]pyrido[3,2-d]pyrimidine-8-carboxamide;tert-butyl piperidine-1-carboxylate has a molecular weight of 500.60 g/mol, XLogP of 2.13, 6 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-[(E)-1-amino-3-(2-methoxyethylimino)prop-1-en-2-yl]pyrido[3,2-d]pyrimidine-8-carboxamide;tert-butyl piperidine-1-carboxylate is sourced from PubChem (CID 169243039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).