4-ethyl-2-[6-[(3-methoxycyclohexyl)amino]-3-pyridinyl]-1H-pyrimidin-6-one

C18H24N4O2 — CID 137268740

IUPAC4-ethyl-2-[6-[(3-methoxycyclohexyl)amino]-3-pyridinyl]-1H-pyrimidin-6-one
SMILESCCc1cc(=O)[nH]c(-c2ccc(NC3CCCC(OC)C3)nc2)n1
InChIInChI=1S/C18H24N4O2/c1-3-13-10-17(23)22-18(21-13)12-7-8-16(19-11-12)20-14-5-4-6-15(9-14)24-2/h7-8,10-11,14-15H,3-6,9H2,1-2H3,(H,19,20)(H,21,22,23)
InChIKeyJFWXXGFIGREBAF-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.76
Rot. Bonds5

About 4-ethyl-2-[6-[(3-methoxycyclohexyl)amino]-3-pyridinyl]-1H-pyrimidin-6-one

4-ethyl-2-[6-[(3-methoxycyclohexyl)amino]-3-pyridinyl]-1H-pyrimidin-6-one (PubChem CID 137268740) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 4-ethyl-2-[6-[(3-methoxycyclohexyl)amino]-3-pyridinyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-ethyl-2-[6-[(3-methoxycyclohexyl)amino]-3-pyridinyl]-1H-pyrimidin-6-one
PubChem CID137268740
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name4-ethyl-2-[6-[(3-methoxycyclohexyl)amino]-3-pyridinyl]-1H-pyrimidin-6-one
SMILESCCc1cc(=O)[nH]c(-c2ccc(NC3CCCC(OC)C3)nc2)n1
InChIInChI=1S/C18H24N4O2/c1-3-13-10-17(23)22-18(21-13)12-7-8-16(19-11-12)20-14-5-4-6-15(9-14)24-2/h7-8,10-11,14-15H,3-6,9H2,1-2H3,(H,19,20)(H,21,22,23)
InChIKeyJFWXXGFIGREBAF-UHFFFAOYSA-N
XLogP2.76
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-[6-[(3-methoxycyclohexyl)amino]-3-pyridinyl]-1H-pyrimidin-6-one?
The IUPAC name of 4-ethyl-2-[6-[(3-methoxycyclohexyl)amino]-3-pyridinyl]-1H-pyrimidin-6-one (CID 137268740) is 4-ethyl-2-[6-[(3-methoxycyclohexyl)amino]-3-pyridinyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-ethyl-2-[6-[(3-methoxycyclohexyl)amino]-3-pyridinyl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-ethyl-2-[6-[(3-methoxycyclohexyl)amino]-3-pyridinyl]-1H-pyrimidin-6-one is CCc1cc(=O)[nH]c(-c2ccc(NC3CCCC(OC)C3)nc2)n1.
What is the InChIKey of 4-ethyl-2-[6-[(3-methoxycyclohexyl)amino]-3-pyridinyl]-1H-pyrimidin-6-one?
The InChIKey is JFWXXGFIGREBAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-3-13-10-17(23)22-18(21-13)12-7-8-16(19-11-12)20-14-5-4-6-15(9-14)24-2/h7-8,10-11,14-15H,3-6,9H2,1-2H3,(H,19,20)(H,21,22,23).
What are the key properties of 4-ethyl-2-[6-[(3-methoxycyclohexyl)amino]-3-pyridinyl]-1H-pyrimidin-6-one?
4-ethyl-2-[6-[(3-methoxycyclohexyl)amino]-3-pyridinyl]-1H-pyrimidin-6-one has a molecular weight of 328.42 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-[6-[(3-methoxycyclohexyl)amino]-3-pyridinyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 137268740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).