4-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]cyclohexane-1-carboxamide

C11H15ClN4O2 — CID 136974482

IUPAC4-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]cyclohexane-1-carboxamide
SMILESNC(=O)C1CCC(Nc2nc[nH]c(=O)c2Cl)CC1
InChIInChI=1S/C11H15ClN4O2/c12-8-10(14-5-15-11(8)18)16-7-3-1-6(2-4-7)9(13)17/h5-7H,1-4H2,(H2,13,17)(H2,14,15,16,18)
InChIKeyZYGVUXDVOVDDGO-UHFFFAOYSA-N
MW270.72 g/mol
LogP0.88
Rot. Bonds3

About 4-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]cyclohexane-1-carboxamide

4-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]cyclohexane-1-carboxamide (PubChem CID 136974482) has the molecular formula C11H15ClN4O2 and a molecular weight of 270.72 g/mol. Its IUPAC name is 4-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]cyclohexane-1-carboxamide
PubChem CID136974482
Molecular FormulaC11H15ClN4O2
Molecular Weight270.72 g/mol
Exact Mass270.09
IUPAC Name4-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]cyclohexane-1-carboxamide
SMILESNC(=O)C1CCC(Nc2nc[nH]c(=O)c2Cl)CC1
InChIInChI=1S/C11H15ClN4O2/c12-8-10(14-5-15-11(8)18)16-7-3-1-6(2-4-7)9(13)17/h5-7H,1-4H2,(H2,13,17)(H2,14,15,16,18)
InChIKeyZYGVUXDVOVDDGO-UHFFFAOYSA-N
XLogP0.88
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]cyclohexane-1-carboxamide?
The IUPAC name of 4-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]cyclohexane-1-carboxamide (CID 136974482) is 4-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]cyclohexane-1-carboxamide?
The canonical SMILES for 4-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]cyclohexane-1-carboxamide is NC(=O)C1CCC(Nc2nc[nH]c(=O)c2Cl)CC1.
What is the InChIKey of 4-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]cyclohexane-1-carboxamide?
The InChIKey is ZYGVUXDVOVDDGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN4O2/c12-8-10(14-5-15-11(8)18)16-7-3-1-6(2-4-7)9(13)17/h5-7H,1-4H2,(H2,13,17)(H2,14,15,16,18).
What are the key properties of 4-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]cyclohexane-1-carboxamide?
4-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]cyclohexane-1-carboxamide has a molecular weight of 270.72 g/mol, XLogP of 0.88, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]cyclohexane-1-carboxamide is sourced from PubChem (CID 136974482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).