5-chloro-N-[(1-hydroxycyclopentyl)methyl]pyrimidine-4-carboxamide

C11H14ClN3O2 — CID 111825049

IUPAC5-chloro-N-[(1-hydroxycyclopentyl)methyl]pyrimidine-4-carboxamide
SMILESO=C(NCC1(O)CCCC1)c1ncncc1Cl
InChIInChI=1S/C11H14ClN3O2/c12-8-5-13-7-15-9(8)10(16)14-6-11(17)3-1-2-4-11/h5,7,17H,1-4,6H2,(H,14,16)
InChIKeyGGAMOKSDVAUHBF-UHFFFAOYSA-N
MW255.70 g/mol
LogP1.16
Rot. Bonds3

About 5-chloro-N-[(1-hydroxycyclopentyl)methyl]pyrimidine-4-carboxamide

5-chloro-N-[(1-hydroxycyclopentyl)methyl]pyrimidine-4-carboxamide (PubChem CID 111825049) has the molecular formula C11H14ClN3O2 and a molecular weight of 255.70 g/mol. Its IUPAC name is 5-chloro-N-[(1-hydroxycyclopentyl)methyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[(1-hydroxycyclopentyl)methyl]pyrimidine-4-carboxamide
PubChem CID111825049
Molecular FormulaC11H14ClN3O2
Molecular Weight255.70 g/mol
Exact Mass255.08
IUPAC Name5-chloro-N-[(1-hydroxycyclopentyl)methyl]pyrimidine-4-carboxamide
SMILESO=C(NCC1(O)CCCC1)c1ncncc1Cl
InChIInChI=1S/C11H14ClN3O2/c12-8-5-13-7-15-9(8)10(16)14-6-11(17)3-1-2-4-11/h5,7,17H,1-4,6H2,(H,14,16)
InChIKeyGGAMOKSDVAUHBF-UHFFFAOYSA-N
XLogP1.16
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.70
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-[(1-hydroxycyclohexyl)methyl]pyridine-4-carboxamide
CID 66483576
5-chloro-N-[(1-hydroxycyclohexyl)methyl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 111446102
N-(2-aminoethyl)-5-chloropyrimidine-4-carboxamide
CID 119382372
6-chloro-N-[(1-hydroxycyclohexyl)methyl]pyridine-3-carboxamide
CID 65107127
2,6-dichloro-N-[(1-hydroxycyclopentyl)methyl]benzamide
CID 65113651
N-(2-aminoethyl)-5-chloropyrimidine-4-carboxamide;hydrochloride
CID 119382371
5-amino-N-[(1-hydroxycycloheptyl)methyl]pyridine-2-carboxamide
CID 81316208
N-[(1-hydroxycyclohexyl)methyl]pyridine-4-carboxamide
CID 64868056
5-chloro-N-[(1-hydroxycyclopentyl)methyl]-1,3,4-thiadiazole-2-carboxamide
CID 80619325
2-chloro-N-[(1-hydroxycyclohexyl)methyl]furan-3-carboxamide
CID 106686927
2-chloro-N-[(1-hydroxycycloheptyl)methyl]-5-(5-methylpyrazin-2-yl)benzamide
CID 46887562
N-[(1-hydroxycyclohexyl)methyl]-2-methyl-1,3-thiazole-5-carboxamide
CID 113240320

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(1-hydroxycyclopentyl)methyl]pyrimidine-4-carboxamide?
The IUPAC name of 5-chloro-N-[(1-hydroxycyclopentyl)methyl]pyrimidine-4-carboxamide (CID 111825049) is 5-chloro-N-[(1-hydroxycyclopentyl)methyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 5-chloro-N-[(1-hydroxycyclopentyl)methyl]pyrimidine-4-carboxamide?
The canonical SMILES for 5-chloro-N-[(1-hydroxycyclopentyl)methyl]pyrimidine-4-carboxamide is O=C(NCC1(O)CCCC1)c1ncncc1Cl.
What is the InChIKey of 5-chloro-N-[(1-hydroxycyclopentyl)methyl]pyrimidine-4-carboxamide?
The InChIKey is GGAMOKSDVAUHBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O2/c12-8-5-13-7-15-9(8)10(16)14-6-11(17)3-1-2-4-11/h5,7,17H,1-4,6H2,(H,14,16).
What are the key properties of 5-chloro-N-[(1-hydroxycyclopentyl)methyl]pyrimidine-4-carboxamide?
5-chloro-N-[(1-hydroxycyclopentyl)methyl]pyrimidine-4-carboxamide has a molecular weight of 255.70 g/mol, XLogP of 1.16, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(1-hydroxycyclopentyl)methyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 111825049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).