4-amino-N-[6-(2-methoxyphenyl)pyrimidin-4-yl]cyclohexane-1-carboxamide

C18H22N4O2 — CID 59509083

IUPAC4-amino-N-[6-(2-methoxyphenyl)pyrimidin-4-yl]cyclohexane-1-carboxamide
SMILESCOc1ccccc1-c1cc(NC(=O)C2CCC(N)CC2)ncn1
InChIInChI=1S/C18H22N4O2/c1-24-16-5-3-2-4-14(16)15-10-17(21-11-20-15)22-18(23)12-6-8-13(19)9-7-12/h2-5,10-13H,6-9,19H2,1H3,(H,20,21,22,23)
InChIKeyNYIKPDSFPGJGHT-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.61
Rot. Bonds4

About 4-amino-N-[6-(2-methoxyphenyl)pyrimidin-4-yl]cyclohexane-1-carboxamide

4-amino-N-[6-(2-methoxyphenyl)pyrimidin-4-yl]cyclohexane-1-carboxamide (PubChem CID 59509083) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 4-amino-N-[6-(2-methoxyphenyl)pyrimidin-4-yl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-[6-(2-methoxyphenyl)pyrimidin-4-yl]cyclohexane-1-carboxamide
PubChem CID59509083
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name4-amino-N-[6-(2-methoxyphenyl)pyrimidin-4-yl]cyclohexane-1-carboxamide
SMILESCOc1ccccc1-c1cc(NC(=O)C2CCC(N)CC2)ncn1
InChIInChI=1S/C18H22N4O2/c1-24-16-5-3-2-4-14(16)15-10-17(21-11-20-15)22-18(23)12-6-8-13(19)9-7-12/h2-5,10-13H,6-9,19H2,1H3,(H,20,21,22,23)
InChIKeyNYIKPDSFPGJGHT-UHFFFAOYSA-N
XLogP2.61
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[6-(2-methoxyphenyl)pyrimidin-4-yl]cyclohexane-1-carboxamide?
The IUPAC name of 4-amino-N-[6-(2-methoxyphenyl)pyrimidin-4-yl]cyclohexane-1-carboxamide (CID 59509083) is 4-amino-N-[6-(2-methoxyphenyl)pyrimidin-4-yl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-amino-N-[6-(2-methoxyphenyl)pyrimidin-4-yl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-amino-N-[6-(2-methoxyphenyl)pyrimidin-4-yl]cyclohexane-1-carboxamide is COc1ccccc1-c1cc(NC(=O)C2CCC(N)CC2)ncn1.
What is the InChIKey of 4-amino-N-[6-(2-methoxyphenyl)pyrimidin-4-yl]cyclohexane-1-carboxamide?
The InChIKey is NYIKPDSFPGJGHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-24-16-5-3-2-4-14(16)15-10-17(21-11-20-15)22-18(23)12-6-8-13(19)9-7-12/h2-5,10-13H,6-9,19H2,1H3,(H,20,21,22,23).
What are the key properties of 4-amino-N-[6-(2-methoxyphenyl)pyrimidin-4-yl]cyclohexane-1-carboxamide?
4-amino-N-[6-(2-methoxyphenyl)pyrimidin-4-yl]cyclohexane-1-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[6-(2-methoxyphenyl)pyrimidin-4-yl]cyclohexane-1-carboxamide is sourced from PubChem (CID 59509083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).