N-[2,4-bis(dimethylamino)pyrimidin-5-yl]-3-cyclopentylpropanamide

C16H27N5O — CID 122319650

IUPACN-[2,4-bis(dimethylamino)pyrimidin-5-yl]-3-cyclopentylpropanamide
SMILESCN(C)c1ncc(NC(=O)CCC2CCCC2)c(N(C)C)n1
InChIInChI=1S/C16H27N5O/c1-20(2)15-13(11-17-16(19-15)21(3)4)18-14(22)10-9-12-7-5-6-8-12/h11-12H,5-10H2,1-4H3,(H,18,22)
InChIKeyCYPIMYITRQBWLD-UHFFFAOYSA-N
MW305.43 g/mol
LogP2.52
Rot. Bonds6

About N-[2,4-bis(dimethylamino)pyrimidin-5-yl]-3-cyclopentylpropanamide

N-[2,4-bis(dimethylamino)pyrimidin-5-yl]-3-cyclopentylpropanamide (PubChem CID 122319650) has the molecular formula C16H27N5O and a molecular weight of 305.43 g/mol. Its IUPAC name is N-[2,4-bis(dimethylamino)pyrimidin-5-yl]-3-cyclopentylpropanamide.

Molecular Properties

Compound NameN-[2,4-bis(dimethylamino)pyrimidin-5-yl]-3-cyclopentylpropanamide
PubChem CID122319650
Molecular FormulaC16H27N5O
Molecular Weight305.43 g/mol
Exact Mass305.22
IUPAC NameN-[2,4-bis(dimethylamino)pyrimidin-5-yl]-3-cyclopentylpropanamide
SMILESCN(C)c1ncc(NC(=O)CCC2CCCC2)c(N(C)C)n1
InChIInChI=1S/C16H27N5O/c1-20(2)15-13(11-17-16(19-15)21(3)4)18-14(22)10-9-12-7-5-6-8-12/h11-12H,5-10H2,1-4H3,(H,18,22)
InChIKeyCYPIMYITRQBWLD-UHFFFAOYSA-N
XLogP2.52
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.43
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyclopentyl-N-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]acetamide
CID 122319908
2-cyclopentyl-N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]acetamide
CID 122320170
N-[2,4-bis(dimethylamino)pyrimidin-5-yl]-2-ethylbutanamide
CID 122319607
N-[2,4-bis(dimethylamino)pyrimidin-5-yl]-6-cyclopentyloxypyridine-3-carboxamide
CID 122319775
N-(2-acetamidophenyl)-3-cyclopentylpropanamide
CID 976246
N-[2,4-bis(dimethylamino)pyrimidin-5-yl]-2-(2-fluorophenoxy)acetamide
CID 122319662
3-cyclopentyl-N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]propanamide
CID 122322209
3-cyclohexyl-N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]propanamide
CID 121137204
3-cyclopentyl-N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]propanamide
CID 18566661
3-cyclohexyl-N-[5-(3-cyclohexylpropanoylamino)naphthalen-1-yl]propanamide
CID 27126992
3-cyclopentyl-N-(2-methylsulfanylphenyl)propanamide
CID 112789217
3-cyclopentyl-N-(2-hydroxy-4-methylphenyl)propanamide
CID 7979725

Frequently Asked Questions

What is the IUPAC name of N-[2,4-bis(dimethylamino)pyrimidin-5-yl]-3-cyclopentylpropanamide?
The IUPAC name of N-[2,4-bis(dimethylamino)pyrimidin-5-yl]-3-cyclopentylpropanamide (CID 122319650) is N-[2,4-bis(dimethylamino)pyrimidin-5-yl]-3-cyclopentylpropanamide.
What is the SMILES notation for N-[2,4-bis(dimethylamino)pyrimidin-5-yl]-3-cyclopentylpropanamide?
The canonical SMILES for N-[2,4-bis(dimethylamino)pyrimidin-5-yl]-3-cyclopentylpropanamide is CN(C)c1ncc(NC(=O)CCC2CCCC2)c(N(C)C)n1.
What is the InChIKey of N-[2,4-bis(dimethylamino)pyrimidin-5-yl]-3-cyclopentylpropanamide?
The InChIKey is CYPIMYITRQBWLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O/c1-20(2)15-13(11-17-16(19-15)21(3)4)18-14(22)10-9-12-7-5-6-8-12/h11-12H,5-10H2,1-4H3,(H,18,22).
What are the key properties of N-[2,4-bis(dimethylamino)pyrimidin-5-yl]-3-cyclopentylpropanamide?
N-[2,4-bis(dimethylamino)pyrimidin-5-yl]-3-cyclopentylpropanamide has a molecular weight of 305.43 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,4-bis(dimethylamino)pyrimidin-5-yl]-3-cyclopentylpropanamide is sourced from PubChem (CID 122319650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).