2-[(4-cyclopentylpyrimidin-2-yl)amino]-N-propan-2-ylacetamide

C14H22N4O — CID 56873383

IUPAC2-[(4-cyclopentylpyrimidin-2-yl)amino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CNc1nccc(C2CCCC2)n1
InChIInChI=1S/C14H22N4O/c1-10(2)17-13(19)9-16-14-15-8-7-12(18-14)11-5-3-4-6-11/h7-8,10-11H,3-6,9H2,1-2H3,(H,17,19)(H,15,16,18)
InChIKeyFCCYHRPDBVBFEW-UHFFFAOYSA-N
MW262.36 g/mol
LogP2.07
Rot. Bonds5

About 2-[(4-cyclopentylpyrimidin-2-yl)amino]-N-propan-2-ylacetamide

2-[(4-cyclopentylpyrimidin-2-yl)amino]-N-propan-2-ylacetamide (PubChem CID 56873383) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 2-[(4-cyclopentylpyrimidin-2-yl)amino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[(4-cyclopentylpyrimidin-2-yl)amino]-N-propan-2-ylacetamide
PubChem CID56873383
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name2-[(4-cyclopentylpyrimidin-2-yl)amino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CNc1nccc(C2CCCC2)n1
InChIInChI=1S/C14H22N4O/c1-10(2)17-13(19)9-16-14-15-8-7-12(18-14)11-5-3-4-6-11/h7-8,10-11H,3-6,9H2,1-2H3,(H,17,19)(H,15,16,18)
InChIKeyFCCYHRPDBVBFEW-UHFFFAOYSA-N
XLogP2.07
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-cyclopentylpyrimidin-2-yl)amino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[(4-cyclopentylpyrimidin-2-yl)amino]-N-propan-2-ylacetamide (CID 56873383) is 2-[(4-cyclopentylpyrimidin-2-yl)amino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[(4-cyclopentylpyrimidin-2-yl)amino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[(4-cyclopentylpyrimidin-2-yl)amino]-N-propan-2-ylacetamide is CC(C)NC(=O)CNc1nccc(C2CCCC2)n1.
What is the InChIKey of 2-[(4-cyclopentylpyrimidin-2-yl)amino]-N-propan-2-ylacetamide?
The InChIKey is FCCYHRPDBVBFEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-10(2)17-13(19)9-16-14-15-8-7-12(18-14)11-5-3-4-6-11/h7-8,10-11H,3-6,9H2,1-2H3,(H,17,19)(H,15,16,18).
What are the key properties of 2-[(4-cyclopentylpyrimidin-2-yl)amino]-N-propan-2-ylacetamide?
2-[(4-cyclopentylpyrimidin-2-yl)amino]-N-propan-2-ylacetamide has a molecular weight of 262.36 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-cyclopentylpyrimidin-2-yl)amino]-N-propan-2-ylacetamide is sourced from PubChem (CID 56873383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).