4-amino-N-[3-(dimethylamino)propyl]-2-pyridin-4-ylpyrimidine-5-carboxamide

C15H20N6O — CID 83567488

IUPAC4-amino-N-[3-(dimethylamino)propyl]-2-pyridin-4-ylpyrimidine-5-carboxamide
SMILESCN(C)CCCNC(=O)c1cnc(-c2ccncc2)nc1N
InChIInChI=1S/C15H20N6O/c1-21(2)9-3-6-18-15(22)12-10-19-14(20-13(12)16)11-4-7-17-8-5-11/h4-5,7-8,10H,3,6,9H2,1-2H3,(H,18,22)(H2,16,19,20)
InChIKeyDFHRQZFTJHDUAH-UHFFFAOYSA-N
MW300.37 g/mol
LogP0.80
Rot. Bonds6

About 4-amino-N-[3-(dimethylamino)propyl]-2-pyridin-4-ylpyrimidine-5-carboxamide

4-amino-N-[3-(dimethylamino)propyl]-2-pyridin-4-ylpyrimidine-5-carboxamide (PubChem CID 83567488) has the molecular formula C15H20N6O and a molecular weight of 300.37 g/mol. Its IUPAC name is 4-amino-N-[3-(dimethylamino)propyl]-2-pyridin-4-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-[3-(dimethylamino)propyl]-2-pyridin-4-ylpyrimidine-5-carboxamide
PubChem CID83567488
Molecular FormulaC15H20N6O
Molecular Weight300.37 g/mol
Exact Mass300.17
IUPAC Name4-amino-N-[3-(dimethylamino)propyl]-2-pyridin-4-ylpyrimidine-5-carboxamide
SMILESCN(C)CCCNC(=O)c1cnc(-c2ccncc2)nc1N
InChIInChI=1S/C15H20N6O/c1-21(2)9-3-6-18-15(22)12-10-19-14(20-13(12)16)11-4-7-17-8-5-11/h4-5,7-8,10H,3,6,9H2,1-2H3,(H,18,22)(H2,16,19,20)
InChIKeyDFHRQZFTJHDUAH-UHFFFAOYSA-N
XLogP0.80
TPSA97.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-(2-methylpropyl)-2-pyridin-4-ylpyrimidine-5-carboxamide
CID 83567494
4-amino-N-butyl-2-phenylpyrimidine-5-carboxamide
CID 83567065
4-amino-N-pentyl-2-pyridin-3-ylpyrimidine-5-carboxamide
CID 83567464
4-amino-2-(4-methylphenyl)-N-propylpyrimidine-5-carboxamide
CID 83567104
N-[3-(dimethylamino)propyl]pyridine-4-carboxamide;hydrochloride
CID 110755338
4-amino-N-propyl-2-pyridin-3-ylpyrimidine-5-carboxamide
CID 83567475
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-(5-methyl-1,2-oxazol-3-yl)-2-pyridin-4-ylpyrimidine-5-carboxamide
CID 83574670
N-[3-(dimethylamino)propyl]-2-hydrazinylpyridine-3-carboxamide
CID 60920879
N-[3-(dimethylamino)propyl]isoquinoline-6-carboxamide
CID 110485149
3-amino-N-[2-(dimethylamino)ethyl]pyridine-4-carboxamide
CID 110849614

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[3-(dimethylamino)propyl]-2-pyridin-4-ylpyrimidine-5-carboxamide?
The IUPAC name of 4-amino-N-[3-(dimethylamino)propyl]-2-pyridin-4-ylpyrimidine-5-carboxamide (CID 83567488) is 4-amino-N-[3-(dimethylamino)propyl]-2-pyridin-4-ylpyrimidine-5-carboxamide.
What is the SMILES notation for 4-amino-N-[3-(dimethylamino)propyl]-2-pyridin-4-ylpyrimidine-5-carboxamide?
The canonical SMILES for 4-amino-N-[3-(dimethylamino)propyl]-2-pyridin-4-ylpyrimidine-5-carboxamide is CN(C)CCCNC(=O)c1cnc(-c2ccncc2)nc1N.
What is the InChIKey of 4-amino-N-[3-(dimethylamino)propyl]-2-pyridin-4-ylpyrimidine-5-carboxamide?
The InChIKey is DFHRQZFTJHDUAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O/c1-21(2)9-3-6-18-15(22)12-10-19-14(20-13(12)16)11-4-7-17-8-5-11/h4-5,7-8,10H,3,6,9H2,1-2H3,(H,18,22)(H2,16,19,20).
What are the key properties of 4-amino-N-[3-(dimethylamino)propyl]-2-pyridin-4-ylpyrimidine-5-carboxamide?
4-amino-N-[3-(dimethylamino)propyl]-2-pyridin-4-ylpyrimidine-5-carboxamide has a molecular weight of 300.37 g/mol, XLogP of 0.80, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[3-(dimethylamino)propyl]-2-pyridin-4-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 83567488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).