N-[3-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]phenyl]cyclopentanecarboxamide

C17H24N4O — CID 110916589

IUPACN-[3-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]phenyl]cyclopentanecarboxamide
SMILESO=C(Nc1cccc(CNC2=NCCCN2)c1)C1CCCC1
InChIInChI=1S/C17H24N4O/c22-16(14-6-1-2-7-14)21-15-8-3-5-13(11-15)12-20-17-18-9-4-10-19-17/h3,5,8,11,14H,1-2,4,6-7,9-10,12H2,(H,21,22)(H2,18,19,20)
InChIKeyGUVULJBCFWWEGW-UHFFFAOYSA-N
MW300.41 g/mol
LogP2.25
Rot. Bonds4

About N-[3-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]phenyl]cyclopentanecarboxamide

N-[3-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]phenyl]cyclopentanecarboxamide (PubChem CID 110916589) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is N-[3-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]phenyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[3-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]phenyl]cyclopentanecarboxamide
PubChem CID110916589
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC NameN-[3-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]phenyl]cyclopentanecarboxamide
SMILESO=C(Nc1cccc(CNC2=NCCCN2)c1)C1CCCC1
InChIInChI=1S/C17H24N4O/c22-16(14-6-1-2-7-14)21-15-8-3-5-13(11-15)12-20-17-18-9-4-10-19-17/h3,5,8,11,14H,1-2,4,6-7,9-10,12H2,(H,21,22)(H2,18,19,20)
InChIKeyGUVULJBCFWWEGW-UHFFFAOYSA-N
XLogP2.25
TPSA65.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]phenyl]cyclobutanecarboxamide;hydroiodide
CID 110914967
3-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]benzamide
CID 119112709
N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]piperidine-4-carboxamide;hydrochloride
CID 119299314
3-morpholin-4-yl-N-[3-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]phenyl]propanamide;hydroiodide
CID 119112776
N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119299320
N-[3-(chloromethyl)phenyl]cyclooctanecarboxamide
CID 114293358
N-[[3-(cyclobutanecarbonylamino)phenyl]methyl]piperidine-3-carboxamide
CID 119282363
N-[[3-(cyclohexanecarbonylamino)phenyl]methyl]morpholine-3-carboxamide
CID 119738923
N-[3-(chloromethyl)phenyl]cyclobutanecarboxamide
CID 114293317
N-[3-[[(4-acetamidophenyl)methylamino]methyl]phenyl]cyclopentanecarboxamide
CID 47052652
N-[3-[[(3-cyano-2,6-dimethyl-4-pyridinyl)amino]methyl]phenyl]cyclopentanecarboxamide
CID 133396952
N-[3-[[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]methyl]phenyl]cyclobutanecarboxamide
CID 133335548

Frequently Asked Questions

What is the IUPAC name of N-[3-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]phenyl]cyclopentanecarboxamide?
The IUPAC name of N-[3-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]phenyl]cyclopentanecarboxamide (CID 110916589) is N-[3-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]phenyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[3-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]phenyl]cyclopentanecarboxamide?
The canonical SMILES for N-[3-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]phenyl]cyclopentanecarboxamide is O=C(Nc1cccc(CNC2=NCCCN2)c1)C1CCCC1.
What is the InChIKey of N-[3-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]phenyl]cyclopentanecarboxamide?
The InChIKey is GUVULJBCFWWEGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O/c22-16(14-6-1-2-7-14)21-15-8-3-5-13(11-15)12-20-17-18-9-4-10-19-17/h3,5,8,11,14H,1-2,4,6-7,9-10,12H2,(H,21,22)(H2,18,19,20).
What are the key properties of N-[3-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]phenyl]cyclopentanecarboxamide?
N-[3-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]phenyl]cyclopentanecarboxamide has a molecular weight of 300.41 g/mol, XLogP of 2.25, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]phenyl]cyclopentanecarboxamide is sourced from PubChem (CID 110916589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).