4-amino-N-propyl-2-pyridin-3-ylpyrimidine-5-carboxamide

C13H15N5O — CID 83567475

IUPAC4-amino-N-propyl-2-pyridin-3-ylpyrimidine-5-carboxamide
SMILESCCCNC(=O)c1cnc(-c2cccnc2)nc1N
InChIInChI=1S/C13H15N5O/c1-2-5-16-13(19)10-8-17-12(18-11(10)14)9-4-3-6-15-7-9/h3-4,6-8H,2,5H2,1H3,(H,16,19)(H2,14,17,18)
InChIKeyVNICHROARJKDPY-UHFFFAOYSA-N
MW257.30 g/mol
LogP1.26
Rot. Bonds4

About 4-amino-N-propyl-2-pyridin-3-ylpyrimidine-5-carboxamide

4-amino-N-propyl-2-pyridin-3-ylpyrimidine-5-carboxamide (PubChem CID 83567475) has the molecular formula C13H15N5O and a molecular weight of 257.30 g/mol. Its IUPAC name is 4-amino-N-propyl-2-pyridin-3-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-propyl-2-pyridin-3-ylpyrimidine-5-carboxamide
PubChem CID83567475
Molecular FormulaC13H15N5O
Molecular Weight257.30 g/mol
Exact Mass257.13
IUPAC Name4-amino-N-propyl-2-pyridin-3-ylpyrimidine-5-carboxamide
SMILESCCCNC(=O)c1cnc(-c2cccnc2)nc1N
InChIInChI=1S/C13H15N5O/c1-2-5-16-13(19)10-8-17-12(18-11(10)14)9-4-3-6-15-7-9/h3-4,6-8H,2,5H2,1H3,(H,16,19)(H2,14,17,18)
InChIKeyVNICHROARJKDPY-UHFFFAOYSA-N
XLogP1.26
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-pentyl-2-pyridin-3-ylpyrimidine-5-carboxamide
CID 83567464
4-amino-2-(4-methylphenyl)-N-propylpyrimidine-5-carboxamide
CID 83567104
4-amino-N-butyl-2-phenylpyrimidine-5-carboxamide
CID 83567065
4-amino-2-(2-methylphenyl)-N-propylpyrimidine-5-carboxamide
CID 83567123
4-amino-2-(2-chlorophenyl)-N-propylpyrimidine-5-carboxamide
CID 83567253
4-amino-N-(3-ethoxypropyl)-2-phenylpyrimidine-5-carboxamide
CID 83567067
4-amino-N-ethyl-2-(4-methylphenyl)pyrimidine-5-carboxamide
CID 83567087
4-amino-N-(2-methylpropyl)-2-pyridin-4-ylpyrimidine-5-carboxamide
CID 83567494
N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-4-methyl-2-pyridin-3-ylpyrimidine-5-carboxamide
CID 131892436
4-amino-N-butyl-2-(2-methoxyphenyl)pyrimidine-5-carboxamide
CID 83567272
5-bromo-2-pyridin-3-ylpyrimidin-4-amine
CID 66302850
N-[[4-(dimethylamino)oxan-4-yl]methyl]-4-methyl-2-pyridin-3-ylpyrimidine-5-carboxamide
CID 118764274

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-propyl-2-pyridin-3-ylpyrimidine-5-carboxamide?
The IUPAC name of 4-amino-N-propyl-2-pyridin-3-ylpyrimidine-5-carboxamide (CID 83567475) is 4-amino-N-propyl-2-pyridin-3-ylpyrimidine-5-carboxamide.
What is the SMILES notation for 4-amino-N-propyl-2-pyridin-3-ylpyrimidine-5-carboxamide?
The canonical SMILES for 4-amino-N-propyl-2-pyridin-3-ylpyrimidine-5-carboxamide is CCCNC(=O)c1cnc(-c2cccnc2)nc1N.
What is the InChIKey of 4-amino-N-propyl-2-pyridin-3-ylpyrimidine-5-carboxamide?
The InChIKey is VNICHROARJKDPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O/c1-2-5-16-13(19)10-8-17-12(18-11(10)14)9-4-3-6-15-7-9/h3-4,6-8H,2,5H2,1H3,(H,16,19)(H2,14,17,18).
What are the key properties of 4-amino-N-propyl-2-pyridin-3-ylpyrimidine-5-carboxamide?
4-amino-N-propyl-2-pyridin-3-ylpyrimidine-5-carboxamide has a molecular weight of 257.30 g/mol, XLogP of 1.26, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-propyl-2-pyridin-3-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 83567475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).