2-[(7-aminopyrido[2,3-d]pyrimidin-4-yl)amino]-N-propylacetamide

C12H16N6O — CID 133407832

IUPAC2-[(7-aminopyrido[2,3-d]pyrimidin-4-yl)amino]-N-propylacetamide
SMILESCCCNC(=O)CNc1ncnc2nc(N)ccc12
InChIInChI=1S/C12H16N6O/c1-2-5-14-10(19)6-15-11-8-3-4-9(13)18-12(8)17-7-16-11/h3-4,7H,2,5-6H2,1H3,(H,14,19)(H3,13,15,16,17,18)
InChIKeyGRSKJQZFJCHWAQ-UHFFFAOYSA-N
MW260.30 g/mol
LogP0.55
Rot. Bonds5

About 2-[(7-aminopyrido[2,3-d]pyrimidin-4-yl)amino]-N-propylacetamide

2-[(7-aminopyrido[2,3-d]pyrimidin-4-yl)amino]-N-propylacetamide (PubChem CID 133407832) has the molecular formula C12H16N6O and a molecular weight of 260.30 g/mol. Its IUPAC name is 2-[(7-aminopyrido[2,3-d]pyrimidin-4-yl)amino]-N-propylacetamide.

Molecular Properties

Compound Name2-[(7-aminopyrido[2,3-d]pyrimidin-4-yl)amino]-N-propylacetamide
PubChem CID133407832
Molecular FormulaC12H16N6O
Molecular Weight260.30 g/mol
Exact Mass260.14
IUPAC Name2-[(7-aminopyrido[2,3-d]pyrimidin-4-yl)amino]-N-propylacetamide
SMILESCCCNC(=O)CNc1ncnc2nc(N)ccc12
InChIInChI=1S/C12H16N6O/c1-2-5-14-10(19)6-15-11-8-3-4-9(13)18-12(8)17-7-16-11/h3-4,7H,2,5-6H2,1H3,(H,14,19)(H3,13,15,16,17,18)
InChIKeyGRSKJQZFJCHWAQ-UHFFFAOYSA-N
XLogP0.55
TPSA105.82 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 50.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-propyl-2-(quinazolin-4-ylamino)acetamide
CID 39165546
2-[(5-amino-6-chloropyrimidin-4-yl)amino]-N-propylacetamide
CID 63023413
2-[(6-fluoroquinazolin-4-yl)amino]-N-propylacetamide
CID 133383092
3-[[(7-aminopyrido[2,3-d]pyrimidin-4-yl)amino]methyl]-N-ethylbenzamide
CID 133409598
[4-[2-[(7-aminopyrido[2,3-d]pyrimidin-4-yl)amino]ethyl]phenyl]methanol
CID 133434894
N-ethyl-2-[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]acetamide
CID 80788303
3-[(7-aminopyrido[2,3-d]pyrimidin-4-yl)amino]-N-benzyl-N-methylpropanamide
CID 75434699
4-N-(cyclopropylmethyl)pyrido[2,3-d]pyrimidine-4,7-diamine
CID 133408710
2-[(6-methoxyisoquinolin-1-yl)amino]-N-propylacetamide
CID 106537629
1-[4-[[(7-aminopyrido[2,3-d]pyrimidin-4-yl)amino]methyl]phenyl]-3-propan-2-ylurea
CID 133409466
4-N-[2-(naphthalen-1-ylamino)ethyl]pyrido[2,3-d]pyrimidine-4,7-diamine
CID 133407838
2-[[6-(methylamino)-5-nitropyrimidin-4-yl]amino]-N-propylacetamide
CID 112726544

Frequently Asked Questions

What is the IUPAC name of 2-[(7-aminopyrido[2,3-d]pyrimidin-4-yl)amino]-N-propylacetamide?
The IUPAC name of 2-[(7-aminopyrido[2,3-d]pyrimidin-4-yl)amino]-N-propylacetamide (CID 133407832) is 2-[(7-aminopyrido[2,3-d]pyrimidin-4-yl)amino]-N-propylacetamide.
What is the SMILES notation for 2-[(7-aminopyrido[2,3-d]pyrimidin-4-yl)amino]-N-propylacetamide?
The canonical SMILES for 2-[(7-aminopyrido[2,3-d]pyrimidin-4-yl)amino]-N-propylacetamide is CCCNC(=O)CNc1ncnc2nc(N)ccc12.
What is the InChIKey of 2-[(7-aminopyrido[2,3-d]pyrimidin-4-yl)amino]-N-propylacetamide?
The InChIKey is GRSKJQZFJCHWAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6O/c1-2-5-14-10(19)6-15-11-8-3-4-9(13)18-12(8)17-7-16-11/h3-4,7H,2,5-6H2,1H3,(H,14,19)(H3,13,15,16,17,18).
What are the key properties of 2-[(7-aminopyrido[2,3-d]pyrimidin-4-yl)amino]-N-propylacetamide?
2-[(7-aminopyrido[2,3-d]pyrimidin-4-yl)amino]-N-propylacetamide has a molecular weight of 260.30 g/mol, XLogP of 0.55, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7-aminopyrido[2,3-d]pyrimidin-4-yl)amino]-N-propylacetamide is sourced from PubChem (CID 133407832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).