7-tert-butylpyrido[3,2-d]pyrimidine-2-carboximidamide

C12H15N5 — CID 164792579

IUPAC7-tert-butylpyrido[3,2-d]pyrimidine-2-carboximidamide
SMILES[H]/N=C(\N)c1ncc2ncc(C(C)(C)C)cc2n1
InChIInChI=1S/C12H15N5/c1-12(2,3)7-4-8-9(15-5-7)6-16-11(17-8)10(13)14/h4-6H,1-3H3,(H3,13,14)
InChIKeyCHIPUKMGGMTWPB-UHFFFAOYSA-N
MW229.29 g/mol
LogP1.61
Rot. Bonds1

About 7-tert-butylpyrido[3,2-d]pyrimidine-2-carboximidamide

7-tert-butylpyrido[3,2-d]pyrimidine-2-carboximidamide (PubChem CID 164792579) has the molecular formula C12H15N5 and a molecular weight of 229.29 g/mol. Its IUPAC name is 7-tert-butylpyrido[3,2-d]pyrimidine-2-carboximidamide.

Molecular Properties

Compound Name7-tert-butylpyrido[3,2-d]pyrimidine-2-carboximidamide
PubChem CID164792579
Molecular FormulaC12H15N5
Molecular Weight229.29 g/mol
Exact Mass229.13
IUPAC Name7-tert-butylpyrido[3,2-d]pyrimidine-2-carboximidamide
SMILES[H]/N=C(\N)c1ncc2ncc(C(C)(C)C)cc2n1
InChIInChI=1S/C12H15N5/c1-12(2,3)7-4-8-9(15-5-7)6-16-11(17-8)10(13)14/h4-6H,1-3H3,(H3,13,14)
InChIKeyCHIPUKMGGMTWPB-UHFFFAOYSA-N
XLogP1.61
TPSA88.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.29
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

ethane;6-methylquinazoline-2-carboximidamide
CID 172623100
6-methylpyrido[2,3-d]pyrimidine-2-carboximidamide
CID 172623035
5-prop-1-en-2-ylpyrimidine-2-carboximidamide
CID 146660260
7-tert-butyl-1,5-naphthyridin-2-amine
CID 164792594
ethane;3-methyl-1,7-naphthyridine-6-carboximidamide
CID 172622984
2,7-ditert-butyl-1,5-naphthyridine
CID 171466000
2,3-dimethylimidazo[4,5-b]pyridine-6-carboximidamide
CID 83877151
7-(trifluoromethyl)pyrido[3,2-d]pyrimidin-2-amine
CID 150983052
5-(3-tert-butylphenoxy)pyridine-2-carboximidamide
CID 115489822
3-tert-butylimidazole-4-carboximidamide
CID 83873560
isoquinoline-3-carboximidamide
CID 5069411
5-(4,6-dimethylpyrimidin-2-yl)sulfanylpyridine-2-carboximidamide
CID 113321389

Frequently Asked Questions

What is the IUPAC name of 7-tert-butylpyrido[3,2-d]pyrimidine-2-carboximidamide?
The IUPAC name of 7-tert-butylpyrido[3,2-d]pyrimidine-2-carboximidamide (CID 164792579) is 7-tert-butylpyrido[3,2-d]pyrimidine-2-carboximidamide.
What is the SMILES notation for 7-tert-butylpyrido[3,2-d]pyrimidine-2-carboximidamide?
The canonical SMILES for 7-tert-butylpyrido[3,2-d]pyrimidine-2-carboximidamide is [H]/N=C(\N)c1ncc2ncc(C(C)(C)C)cc2n1.
What is the InChIKey of 7-tert-butylpyrido[3,2-d]pyrimidine-2-carboximidamide?
The InChIKey is CHIPUKMGGMTWPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5/c1-12(2,3)7-4-8-9(15-5-7)6-16-11(17-8)10(13)14/h4-6H,1-3H3,(H3,13,14).
What are the key properties of 7-tert-butylpyrido[3,2-d]pyrimidine-2-carboximidamide?
7-tert-butylpyrido[3,2-d]pyrimidine-2-carboximidamide has a molecular weight of 229.29 g/mol, XLogP of 1.61, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-tert-butylpyrido[3,2-d]pyrimidine-2-carboximidamide is sourced from PubChem (CID 164792579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).