2-amino-4-methyl-5-[(Z)-3-methylpent-1-enyl]-1H-pyrimidin-6-one

C11H17N3O — CID 145259497

IUPAC2-amino-4-methyl-5-[(Z)-3-methylpent-1-enyl]-1H-pyrimidin-6-one
SMILESCCC(C)/C=C\c1c(C)nc(N)[nH]c1=O
InChIInChI=1S/C11H17N3O/c1-4-7(2)5-6-9-8(3)13-11(12)14-10(9)15/h5-7H,4H2,1-3H3,(H3,12,13,14,15)/b6-5-
InChIKeyLWWPIMNDHGOXSW-WAYWQWQTSA-N
MW207.28 g/mol
LogP1.72
Rot. Bonds3

About 2-amino-4-methyl-5-[(Z)-3-methylpent-1-enyl]-1H-pyrimidin-6-one

2-amino-4-methyl-5-[(Z)-3-methylpent-1-enyl]-1H-pyrimidin-6-one (PubChem CID 145259497) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 2-amino-4-methyl-5-[(Z)-3-methylpent-1-enyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-4-methyl-5-[(Z)-3-methylpent-1-enyl]-1H-pyrimidin-6-one
PubChem CID145259497
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name2-amino-4-methyl-5-[(Z)-3-methylpent-1-enyl]-1H-pyrimidin-6-one
SMILESCCC(C)/C=C\c1c(C)nc(N)[nH]c1=O
InChIInChI=1S/C11H17N3O/c1-4-7(2)5-6-9-8(3)13-11(12)14-10(9)15/h5-7H,4H2,1-3H3,(H3,12,13,14,15)/b6-5-
InChIKeyLWWPIMNDHGOXSW-WAYWQWQTSA-N
XLogP1.72
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methyl-5-[(Z)-3-methylpent-1-enyl]-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-4-methyl-5-[(Z)-3-methylpent-1-enyl]-1H-pyrimidin-6-one (CID 145259497) is 2-amino-4-methyl-5-[(Z)-3-methylpent-1-enyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-4-methyl-5-[(Z)-3-methylpent-1-enyl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-4-methyl-5-[(Z)-3-methylpent-1-enyl]-1H-pyrimidin-6-one is CCC(C)/C=C\c1c(C)nc(N)[nH]c1=O.
What is the InChIKey of 2-amino-4-methyl-5-[(Z)-3-methylpent-1-enyl]-1H-pyrimidin-6-one?
The InChIKey is LWWPIMNDHGOXSW-WAYWQWQTSA-N. The full InChI is InChI=1S/C11H17N3O/c1-4-7(2)5-6-9-8(3)13-11(12)14-10(9)15/h5-7H,4H2,1-3H3,(H3,12,13,14,15)/b6-5-.
What are the key properties of 2-amino-4-methyl-5-[(Z)-3-methylpent-1-enyl]-1H-pyrimidin-6-one?
2-amino-4-methyl-5-[(Z)-3-methylpent-1-enyl]-1H-pyrimidin-6-one has a molecular weight of 207.28 g/mol, XLogP of 1.72, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methyl-5-[(Z)-3-methylpent-1-enyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 145259497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).