N-[3-[(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]phenyl]acetamide

C16H18N4O — CID 16876847

IUPACN-[3-[(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(Nc2nc(C)nc3c2CCC3)c1
InChIInChI=1S/C16H18N4O/c1-10-17-15-8-4-7-14(15)16(18-10)20-13-6-3-5-12(9-13)19-11(2)21/h3,5-6,9H,4,7-8H2,1-2H3,(H,19,21)(H,17,18,20)
InChIKeyOFXFJKCZPHTQNE-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.98
Rot. Bonds3

About N-[3-[(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]phenyl]acetamide

N-[3-[(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]phenyl]acetamide (PubChem CID 16876847) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is N-[3-[(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]phenyl]acetamide
PubChem CID16876847
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC NameN-[3-[(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(Nc2nc(C)nc3c2CCC3)c1
InChIInChI=1S/C16H18N4O/c1-10-17-15-8-4-7-14(15)16(18-10)20-13-6-3-5-12(9-13)19-11(2)21/h3,5-6,9H,4,7-8H2,1-2H3,(H,19,21)(H,17,18,20)
InChIKeyOFXFJKCZPHTQNE-UHFFFAOYSA-N
XLogP2.98
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]phenyl]acetamide?
The IUPAC name of N-[3-[(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]phenyl]acetamide (CID 16876847) is N-[3-[(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]phenyl]acetamide.
What is the SMILES notation for N-[3-[(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]phenyl]acetamide?
The canonical SMILES for N-[3-[(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]phenyl]acetamide is CC(=O)Nc1cccc(Nc2nc(C)nc3c2CCC3)c1.
What is the InChIKey of N-[3-[(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]phenyl]acetamide?
The InChIKey is OFXFJKCZPHTQNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c1-10-17-15-8-4-7-14(15)16(18-10)20-13-6-3-5-12(9-13)19-11(2)21/h3,5-6,9H,4,7-8H2,1-2H3,(H,19,21)(H,17,18,20).
What are the key properties of N-[3-[(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]phenyl]acetamide?
N-[3-[(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]phenyl]acetamide has a molecular weight of 282.35 g/mol, XLogP of 2.98, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]phenyl]acetamide is sourced from PubChem (CID 16876847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).