4-[2-amino-4-(3-methoxypropylamino)pyrido[3,2-d]pyrimidin-6-yl]-N-cyclopropylbenzamide

C21H24N6O2 — CID 66810336

IUPAC4-[2-amino-4-(3-methoxypropylamino)pyrido[3,2-d]pyrimidin-6-yl]-N-cyclopropylbenzamide
SMILESCOCCCNc1nc(N)nc2ccc(-c3ccc(C(=O)NC4CC4)cc3)nc12
InChIInChI=1S/C21H24N6O2/c1-29-12-2-11-23-19-18-17(26-21(22)27-19)10-9-16(25-18)13-3-5-14(6-4-13)20(28)24-15-7-8-15/h3-6,9-10,15H,2,7-8,11-12H2,1H3,(H,24,28)(H3,22,23,26,27)
InChIKeyNXXCTICUZYJHCD-UHFFFAOYSA-N
MW392.46 g/mol
LogP2.61
Rot. Bonds8

About 4-[2-amino-4-(3-methoxypropylamino)pyrido[3,2-d]pyrimidin-6-yl]-N-cyclopropylbenzamide

4-[2-amino-4-(3-methoxypropylamino)pyrido[3,2-d]pyrimidin-6-yl]-N-cyclopropylbenzamide (PubChem CID 66810336) has the molecular formula C21H24N6O2 and a molecular weight of 392.46 g/mol. Its IUPAC name is 4-[2-amino-4-(3-methoxypropylamino)pyrido[3,2-d]pyrimidin-6-yl]-N-cyclopropylbenzamide.

Molecular Properties

Compound Name4-[2-amino-4-(3-methoxypropylamino)pyrido[3,2-d]pyrimidin-6-yl]-N-cyclopropylbenzamide
PubChem CID66810336
Molecular FormulaC21H24N6O2
Molecular Weight392.46 g/mol
Exact Mass392.20
IUPAC Name4-[2-amino-4-(3-methoxypropylamino)pyrido[3,2-d]pyrimidin-6-yl]-N-cyclopropylbenzamide
SMILESCOCCCNc1nc(N)nc2ccc(-c3ccc(C(=O)NC4CC4)cc3)nc12
InChIInChI=1S/C21H24N6O2/c1-29-12-2-11-23-19-18-17(26-21(22)27-19)10-9-16(25-18)13-3-5-14(6-4-13)20(28)24-15-7-8-15/h3-6,9-10,15H,2,7-8,11-12H2,1H3,(H,24,28)(H3,22,23,26,27)
InChIKeyNXXCTICUZYJHCD-UHFFFAOYSA-N
XLogP2.61
TPSA115.05 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 52.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

6-(4-fluorophenyl)-4-N-(2-methoxyethyl)pyrido[3,2-d]pyrimidine-2,4-diamine
CID 69081048
methyl N-[4-[2-amino-4-(2-ethoxyethylamino)pyrido[3,2-d]pyrimidin-6-yl]phenyl]carbamate
CID 66810251
6-(4-fluorophenyl)-4-N-pentylpyrido[3,2-d]pyrimidine-2,4-diamine
CID 69095647
3-(2-amino-4-propylpyrido[3,2-d]pyrimidin-6-yl)-N-cyclopropylbenzamide
CID 68915273
4-(2-amino-4-ethoxypyrido[3,2-d]pyrimidin-7-yl)-N-cyclopropylbenzamide
CID 110172113
N-cyclopropyl-4-[7,8-difluoro-4-(3-methylbutylamino)imidazo[1,2-a]quinoxalin-1-yl]benzamide;N-cyclopropyl-4-[8-fluoro-4-(3-methoxypropylamino)imidazo[1,2-a]quinoxalin-1-yl]benzamide
CID 159997775
4-[2-amino-6-(benzylamino)pyrimidin-4-yl]-N-cyclopropylbenzamide
CID 117083427
N-cyclopropyl-4-(3-methoxypropylamino)pyridine-2-carboxamide
CID 109201692
6-(4-fluorophenyl)-4-(2-methoxyethoxy)pyrido[3,2-d]pyrimidin-2-amine
CID 59199210
N-[(1S,3R)-3-aminocyclopentyl]-4-(8-methoxyquinolin-2-yl)benzamide;hydrochloride
CID 154904178
4-[2-[amino-[(4-sulfamoylphenyl)methyl]amino]-4-(2-methylsulfonylethyl)pyrido[3,2-d]pyrimidin-6-yl]-N-cyclopropylbenzamide
CID 69314190
3-(2-aminoquinazolin-6-yl)-N-cyclopropyl-4-methoxybenzamide
CID 58829959

Frequently Asked Questions

What is the IUPAC name of 4-[2-amino-4-(3-methoxypropylamino)pyrido[3,2-d]pyrimidin-6-yl]-N-cyclopropylbenzamide?
The IUPAC name of 4-[2-amino-4-(3-methoxypropylamino)pyrido[3,2-d]pyrimidin-6-yl]-N-cyclopropylbenzamide (CID 66810336) is 4-[2-amino-4-(3-methoxypropylamino)pyrido[3,2-d]pyrimidin-6-yl]-N-cyclopropylbenzamide.
What is the SMILES notation for 4-[2-amino-4-(3-methoxypropylamino)pyrido[3,2-d]pyrimidin-6-yl]-N-cyclopropylbenzamide?
The canonical SMILES for 4-[2-amino-4-(3-methoxypropylamino)pyrido[3,2-d]pyrimidin-6-yl]-N-cyclopropylbenzamide is COCCCNc1nc(N)nc2ccc(-c3ccc(C(=O)NC4CC4)cc3)nc12.
What is the InChIKey of 4-[2-amino-4-(3-methoxypropylamino)pyrido[3,2-d]pyrimidin-6-yl]-N-cyclopropylbenzamide?
The InChIKey is NXXCTICUZYJHCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O2/c1-29-12-2-11-23-19-18-17(26-21(22)27-19)10-9-16(25-18)13-3-5-14(6-4-13)20(28)24-15-7-8-15/h3-6,9-10,15H,2,7-8,11-12H2,1H3,(H,24,28)(H3,22,23,26,27).
What are the key properties of 4-[2-amino-4-(3-methoxypropylamino)pyrido[3,2-d]pyrimidin-6-yl]-N-cyclopropylbenzamide?
4-[2-amino-4-(3-methoxypropylamino)pyrido[3,2-d]pyrimidin-6-yl]-N-cyclopropylbenzamide has a molecular weight of 392.46 g/mol, XLogP of 2.61, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-amino-4-(3-methoxypropylamino)pyrido[3,2-d]pyrimidin-6-yl]-N-cyclopropylbenzamide is sourced from PubChem (CID 66810336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).