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

C12H18N4O3 — CID 136974484

IUPAC4-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]cyclohexane-1-carboxamide
SMILESCOc1c(NC2CCC(C(N)=O)CC2)nc[nH]c1=O
InChIInChI=1S/C12H18N4O3/c1-19-9-11(14-6-15-12(9)18)16-8-4-2-7(3-5-8)10(13)17/h6-8H,2-5H2,1H3,(H2,13,17)(H2,14,15,16,18)
InChIKeySTMCFQUCVXVTMA-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.23
Rot. Bonds4

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

4-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]cyclohexane-1-carboxamide (PubChem CID 136974484) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is 4-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]cyclohexane-1-carboxamide
PubChem CID136974484
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC Name4-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]cyclohexane-1-carboxamide
SMILESCOc1c(NC2CCC(C(N)=O)CC2)nc[nH]c1=O
InChIInChI=1S/C12H18N4O3/c1-19-9-11(14-6-15-12(9)18)16-8-4-2-7(3-5-8)10(13)17/h6-8H,2-5H2,1H3,(H2,13,17)(H2,14,15,16,18)
InChIKeySTMCFQUCVXVTMA-UHFFFAOYSA-N
XLogP0.23
TPSA110.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]cyclohexane-1-carboxamide?
The IUPAC name of 4-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]cyclohexane-1-carboxamide (CID 136974484) is 4-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]cyclohexane-1-carboxamide?
The canonical SMILES for 4-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]cyclohexane-1-carboxamide is COc1c(NC2CCC(C(N)=O)CC2)nc[nH]c1=O.
What is the InChIKey of 4-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]cyclohexane-1-carboxamide?
The InChIKey is STMCFQUCVXVTMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c1-19-9-11(14-6-15-12(9)18)16-8-4-2-7(3-5-8)10(13)17/h6-8H,2-5H2,1H3,(H2,13,17)(H2,14,15,16,18).
What are the key properties of 4-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]cyclohexane-1-carboxamide?
4-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]cyclohexane-1-carboxamide has a molecular weight of 266.30 g/mol, XLogP of 0.23, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]cyclohexane-1-carboxamide is sourced from PubChem (CID 136974484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).