1-methyl-4-(3-methylbut-1-en-2-ylamino)pyrimidin-2-one

C10H15N3O — CID 155141468

IUPAC1-methyl-4-(3-methylbut-1-en-2-ylamino)pyrimidin-2-one
SMILESC=C(Nc1ccn(C)c(=O)n1)C(C)C
InChIInChI=1S/C10H15N3O/c1-7(2)8(3)11-9-5-6-13(4)10(14)12-9/h5-7H,3H2,1-2,4H3,(H,11,12,14)
InChIKeyNARXBSFAIHQNHA-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.36
Rot. Bonds3

About 1-methyl-4-(3-methylbut-1-en-2-ylamino)pyrimidin-2-one

1-methyl-4-(3-methylbut-1-en-2-ylamino)pyrimidin-2-one (PubChem CID 155141468) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is 1-methyl-4-(3-methylbut-1-en-2-ylamino)pyrimidin-2-one.

Molecular Properties

Compound Name1-methyl-4-(3-methylbut-1-en-2-ylamino)pyrimidin-2-one
PubChem CID155141468
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name1-methyl-4-(3-methylbut-1-en-2-ylamino)pyrimidin-2-one
SMILESC=C(Nc1ccn(C)c(=O)n1)C(C)C
InChIInChI=1S/C10H15N3O/c1-7(2)8(3)11-9-5-6-13(4)10(14)12-9/h5-7H,3H2,1-2,4H3,(H,11,12,14)
InChIKeyNARXBSFAIHQNHA-UHFFFAOYSA-N
XLogP1.36
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(3-methylbut-1-en-2-ylamino)pyrimidin-2-one?
The IUPAC name of 1-methyl-4-(3-methylbut-1-en-2-ylamino)pyrimidin-2-one (CID 155141468) is 1-methyl-4-(3-methylbut-1-en-2-ylamino)pyrimidin-2-one.
What is the SMILES notation for 1-methyl-4-(3-methylbut-1-en-2-ylamino)pyrimidin-2-one?
The canonical SMILES for 1-methyl-4-(3-methylbut-1-en-2-ylamino)pyrimidin-2-one is C=C(Nc1ccn(C)c(=O)n1)C(C)C.
What is the InChIKey of 1-methyl-4-(3-methylbut-1-en-2-ylamino)pyrimidin-2-one?
The InChIKey is NARXBSFAIHQNHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c1-7(2)8(3)11-9-5-6-13(4)10(14)12-9/h5-7H,3H2,1-2,4H3,(H,11,12,14).
What are the key properties of 1-methyl-4-(3-methylbut-1-en-2-ylamino)pyrimidin-2-one?
1-methyl-4-(3-methylbut-1-en-2-ylamino)pyrimidin-2-one has a molecular weight of 193.25 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(3-methylbut-1-en-2-ylamino)pyrimidin-2-one is sourced from PubChem (CID 155141468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).