4-N-butyl-6-(1-phenylethyl)pyrido[3,2-d]pyrimidine-2,4-diamine

C19H23N5 — CID 147103146

IUPAC4-N-butyl-6-(1-phenylethyl)pyrido[3,2-d]pyrimidine-2,4-diamine
SMILESCCCCNc1nc(N)nc2ccc(C(C)c3ccccc3)nc12
InChIInChI=1S/C19H23N5/c1-3-4-12-21-18-17-16(23-19(20)24-18)11-10-15(22-17)13(2)14-8-6-5-7-9-14/h5-11,13H,3-4,12H2,1-2H3,(H3,20,21,23,24)
InChIKeyBLAVUOGNOLKBKO-UHFFFAOYSA-N
MW321.43 g/mol
LogP3.97
Rot. Bonds6

About 4-N-butyl-6-(1-phenylethyl)pyrido[3,2-d]pyrimidine-2,4-diamine

4-N-butyl-6-(1-phenylethyl)pyrido[3,2-d]pyrimidine-2,4-diamine (PubChem CID 147103146) has the molecular formula C19H23N5 and a molecular weight of 321.43 g/mol. Its IUPAC name is 4-N-butyl-6-(1-phenylethyl)pyrido[3,2-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-butyl-6-(1-phenylethyl)pyrido[3,2-d]pyrimidine-2,4-diamine
PubChem CID147103146
Molecular FormulaC19H23N5
Molecular Weight321.43 g/mol
Exact Mass321.20
IUPAC Name4-N-butyl-6-(1-phenylethyl)pyrido[3,2-d]pyrimidine-2,4-diamine
SMILESCCCCNc1nc(N)nc2ccc(C(C)c3ccccc3)nc12
InChIInChI=1S/C19H23N5/c1-3-4-12-21-18-17-16(23-19(20)24-18)11-10-15(22-17)13(2)14-8-6-5-7-9-14/h5-11,13H,3-4,12H2,1-2H3,(H3,20,21,23,24)
InChIKeyBLAVUOGNOLKBKO-UHFFFAOYSA-N
XLogP3.97
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.43
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-[[4-(aminomethyl)phenyl]methyl]-4-N-butylpyrido[3,2-d]pyrimidine-2,4-diamine
CID 149046473
4-N-butyl-6-[(4-methylphenyl)methyl]pyrido[3,2-d]pyrimidine-2,4-diamine
CID 166630057
6-(4-fluorophenyl)-4-N-pentylpyrido[3,2-d]pyrimidine-2,4-diamine
CID 69095647
methyl 3-[[2-amino-4-(butylamino)pyrido[3,2-d]pyrimidin-6-yl]methyl]benzoate
CID 147453813
4-N-(4-methylpentyl)quinazoline-2,4-diamine
CID 80831388
4-N-butyl-6-[[4-[(dimethylamino)methyl]-3-methoxyphenyl]methyl]pyrido[3,2-d]pyrimidine-2,4-diamine
CID 166629712
4-N-butyl-5-[(4-ethylphenyl)methylsulfanyl]pyrimidine-2,4-diamine
CID 134569001
4-N-(3-ethoxypropyl)quinazoline-2,4-diamine
CID 80773022
4-N-butyl-6-(1-methylpyrazol-4-yl)quinazoline-2,4-diamine
CID 71041843
4-N-butyl-5-prop-2-ynoxyquinazoline-2,4-diamine
CID 89215816
4-N,5-dibutyl-6-methylpyrimidine-2,4-diamine
CID 135271003
4-N-butyl-5,6-dimethylpyrimidine-2,4-diamine
CID 135271001

Frequently Asked Questions

What is the IUPAC name of 4-N-butyl-6-(1-phenylethyl)pyrido[3,2-d]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-butyl-6-(1-phenylethyl)pyrido[3,2-d]pyrimidine-2,4-diamine (CID 147103146) is 4-N-butyl-6-(1-phenylethyl)pyrido[3,2-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-butyl-6-(1-phenylethyl)pyrido[3,2-d]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-butyl-6-(1-phenylethyl)pyrido[3,2-d]pyrimidine-2,4-diamine is CCCCNc1nc(N)nc2ccc(C(C)c3ccccc3)nc12.
What is the InChIKey of 4-N-butyl-6-(1-phenylethyl)pyrido[3,2-d]pyrimidine-2,4-diamine?
The InChIKey is BLAVUOGNOLKBKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5/c1-3-4-12-21-18-17-16(23-19(20)24-18)11-10-15(22-17)13(2)14-8-6-5-7-9-14/h5-11,13H,3-4,12H2,1-2H3,(H3,20,21,23,24).
What are the key properties of 4-N-butyl-6-(1-phenylethyl)pyrido[3,2-d]pyrimidine-2,4-diamine?
4-N-butyl-6-(1-phenylethyl)pyrido[3,2-d]pyrimidine-2,4-diamine has a molecular weight of 321.43 g/mol, XLogP of 3.97, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-butyl-6-(1-phenylethyl)pyrido[3,2-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 147103146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).