4-amino-6-(5-methyl-2-propan-2-ylcyclohexyl)-1H-pyrimidin-2-one

C14H23N3O — CID 71254543

IUPAC4-amino-6-(5-methyl-2-propan-2-ylcyclohexyl)-1H-pyrimidin-2-one
SMILESCC1CCC(C(C)C)C(c2cc(N)nc(=O)[nH]2)C1
InChIInChI=1S/C14H23N3O/c1-8(2)10-5-4-9(3)6-11(10)12-7-13(15)17-14(18)16-12/h7-11H,4-6H2,1-3H3,(H3,15,16,17,18)
InChIKeyNYIFZCBATSYUNH-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.53
Rot. Bonds2

About 4-amino-6-(5-methyl-2-propan-2-ylcyclohexyl)-1H-pyrimidin-2-one

4-amino-6-(5-methyl-2-propan-2-ylcyclohexyl)-1H-pyrimidin-2-one (PubChem CID 71254543) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 4-amino-6-(5-methyl-2-propan-2-ylcyclohexyl)-1H-pyrimidin-2-one.

Molecular Properties

Compound Name4-amino-6-(5-methyl-2-propan-2-ylcyclohexyl)-1H-pyrimidin-2-one
PubChem CID71254543
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name4-amino-6-(5-methyl-2-propan-2-ylcyclohexyl)-1H-pyrimidin-2-one
SMILESCC1CCC(C(C)C)C(c2cc(N)nc(=O)[nH]2)C1
InChIInChI=1S/C14H23N3O/c1-8(2)10-5-4-9(3)6-11(10)12-7-13(15)17-14(18)16-12/h7-11H,4-6H2,1-3H3,(H3,15,16,17,18)
InChIKeyNYIFZCBATSYUNH-UHFFFAOYSA-N
XLogP2.53
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-6-(5-methyl-2-propan-2-ylcyclohexyl)-1H-pyrimidin-2-one?
The IUPAC name of 4-amino-6-(5-methyl-2-propan-2-ylcyclohexyl)-1H-pyrimidin-2-one (CID 71254543) is 4-amino-6-(5-methyl-2-propan-2-ylcyclohexyl)-1H-pyrimidin-2-one.
What is the SMILES notation for 4-amino-6-(5-methyl-2-propan-2-ylcyclohexyl)-1H-pyrimidin-2-one?
The canonical SMILES for 4-amino-6-(5-methyl-2-propan-2-ylcyclohexyl)-1H-pyrimidin-2-one is CC1CCC(C(C)C)C(c2cc(N)nc(=O)[nH]2)C1.
What is the InChIKey of 4-amino-6-(5-methyl-2-propan-2-ylcyclohexyl)-1H-pyrimidin-2-one?
The InChIKey is NYIFZCBATSYUNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-8(2)10-5-4-9(3)6-11(10)12-7-13(15)17-14(18)16-12/h7-11H,4-6H2,1-3H3,(H3,15,16,17,18).
What are the key properties of 4-amino-6-(5-methyl-2-propan-2-ylcyclohexyl)-1H-pyrimidin-2-one?
4-amino-6-(5-methyl-2-propan-2-ylcyclohexyl)-1H-pyrimidin-2-one has a molecular weight of 249.36 g/mol, XLogP of 2.53, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-(5-methyl-2-propan-2-ylcyclohexyl)-1H-pyrimidin-2-one is sourced from PubChem (CID 71254543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).