N-[2-(dimethylamino)pyrimidin-5-yl]propanamide

C9H14N4O — CID 91967806

IUPACN-[2-(dimethylamino)pyrimidin-5-yl]propanamide
SMILESCCC(=O)Nc1cnc(N(C)C)nc1
InChIInChI=1S/C9H14N4O/c1-4-8(14)12-7-5-10-9(11-6-7)13(2)3/h5-6H,4H2,1-3H3,(H,12,14)
InChIKeyRSHOFJIMPHPSCC-UHFFFAOYSA-N
MW194.24 g/mol
LogP0.89
Rot. Bonds3

About N-[2-(dimethylamino)pyrimidin-5-yl]propanamide

N-[2-(dimethylamino)pyrimidin-5-yl]propanamide (PubChem CID 91967806) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is N-[2-(dimethylamino)pyrimidin-5-yl]propanamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)pyrimidin-5-yl]propanamide
PubChem CID91967806
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC NameN-[2-(dimethylamino)pyrimidin-5-yl]propanamide
SMILESCCC(=O)Nc1cnc(N(C)C)nc1
InChIInChI=1S/C9H14N4O/c1-4-8(14)12-7-5-10-9(11-6-7)13(2)3/h5-6H,4H2,1-3H3,(H,12,14)
InChIKeyRSHOFJIMPHPSCC-UHFFFAOYSA-N
XLogP0.89
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(dimethylamino)pyrimidin-5-yl]-3-[(3S)-hex-5-en-3-yl]urea
CID 124887450
N-[6-[6-[5-(propanoylamino)-2-pyridinyl]-1,2,4,5-tetrazin-3-yl]-3-pyridinyl]propanamide
CID 160672212
N-(2-phenylpyrimidin-5-yl)propanamide
CID 53014772
N-(2-oxo-1H-pyrimidin-5-yl)propanamide
CID 130249603
3-bromo-N-[2-(dimethylamino)pyrimidin-5-yl]benzamide
CID 122298143
N-[6-(cyclohexylamino)-3-pyridinyl]propanamide
CID 113010037
N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]propanamide
CID 121112452
N-[5-(4-methylanilino)-2-pyridinyl]propanamide
CID 113031521
N-[2-(dimethylamino)pyrimidin-5-yl]quinoxaline-2-carboxamide
CID 122297962
N-[6-(4-fluoroanilino)-3-pyridinyl]propanamide
CID 113018289
1-[2-(dimethylamino)pyrimidin-5-yl]-3-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea
CID 99581238
N-[5-(propylamino)-2-pyridinyl]propanamide
CID 113023412

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)pyrimidin-5-yl]propanamide?
The IUPAC name of N-[2-(dimethylamino)pyrimidin-5-yl]propanamide (CID 91967806) is N-[2-(dimethylamino)pyrimidin-5-yl]propanamide.
What is the SMILES notation for N-[2-(dimethylamino)pyrimidin-5-yl]propanamide?
The canonical SMILES for N-[2-(dimethylamino)pyrimidin-5-yl]propanamide is CCC(=O)Nc1cnc(N(C)C)nc1.
What is the InChIKey of N-[2-(dimethylamino)pyrimidin-5-yl]propanamide?
The InChIKey is RSHOFJIMPHPSCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O/c1-4-8(14)12-7-5-10-9(11-6-7)13(2)3/h5-6H,4H2,1-3H3,(H,12,14).
What are the key properties of N-[2-(dimethylamino)pyrimidin-5-yl]propanamide?
N-[2-(dimethylamino)pyrimidin-5-yl]propanamide has a molecular weight of 194.24 g/mol, XLogP of 0.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)pyrimidin-5-yl]propanamide is sourced from PubChem (CID 91967806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).