1-[4-(aminomethyl)-2-methylpyrimidin-5-yl]-2,2-dimethylpropan-1-one

C11H17N3O — CID 82507342

IUPAC1-[4-(aminomethyl)-2-methylpyrimidin-5-yl]-2,2-dimethylpropan-1-one
SMILESCc1ncc(C(=O)C(C)(C)C)c(CN)n1
InChIInChI=1S/C11H17N3O/c1-7-13-6-8(9(5-12)14-7)10(15)11(2,3)4/h6H,5,12H2,1-4H3
InChIKeyXMVYXRPJNGTFAO-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.47
Rot. Bonds2

About 1-[4-(aminomethyl)-2-methylpyrimidin-5-yl]-2,2-dimethylpropan-1-one

1-[4-(aminomethyl)-2-methylpyrimidin-5-yl]-2,2-dimethylpropan-1-one (PubChem CID 82507342) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 1-[4-(aminomethyl)-2-methylpyrimidin-5-yl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[4-(aminomethyl)-2-methylpyrimidin-5-yl]-2,2-dimethylpropan-1-one
PubChem CID82507342
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name1-[4-(aminomethyl)-2-methylpyrimidin-5-yl]-2,2-dimethylpropan-1-one
SMILESCc1ncc(C(=O)C(C)(C)C)c(CN)n1
InChIInChI=1S/C11H17N3O/c1-7-13-6-8(9(5-12)14-7)10(15)11(2,3)4/h6H,5,12H2,1-4H3
InChIKeyXMVYXRPJNGTFAO-UHFFFAOYSA-N
XLogP1.47
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(aminomethyl)-2-methylpyrimidin-5-yl]-2,2-dimethylpropan-1-one?
The IUPAC name of 1-[4-(aminomethyl)-2-methylpyrimidin-5-yl]-2,2-dimethylpropan-1-one (CID 82507342) is 1-[4-(aminomethyl)-2-methylpyrimidin-5-yl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[4-(aminomethyl)-2-methylpyrimidin-5-yl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[4-(aminomethyl)-2-methylpyrimidin-5-yl]-2,2-dimethylpropan-1-one is Cc1ncc(C(=O)C(C)(C)C)c(CN)n1.
What is the InChIKey of 1-[4-(aminomethyl)-2-methylpyrimidin-5-yl]-2,2-dimethylpropan-1-one?
The InChIKey is XMVYXRPJNGTFAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-7-13-6-8(9(5-12)14-7)10(15)11(2,3)4/h6H,5,12H2,1-4H3.
What are the key properties of 1-[4-(aminomethyl)-2-methylpyrimidin-5-yl]-2,2-dimethylpropan-1-one?
1-[4-(aminomethyl)-2-methylpyrimidin-5-yl]-2,2-dimethylpropan-1-one has a molecular weight of 207.28 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(aminomethyl)-2-methylpyrimidin-5-yl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 82507342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).