N-methyl-6-propan-2-yl-2-pyrimidin-4-ylpyrimidin-4-amine

C12H15N5 — CID 63984842

IUPACN-methyl-6-propan-2-yl-2-pyrimidin-4-ylpyrimidin-4-amine
SMILESCNc1cc(C(C)C)nc(-c2ccncn2)n1
InChIInChI=1S/C12H15N5/c1-8(2)10-6-11(13-3)17-12(16-10)9-4-5-14-7-15-9/h4-8H,1-3H3,(H,13,16,17)
InChIKeyCPVBQJXTRRGRLA-UHFFFAOYSA-N
MW229.29 g/mol
LogP2.10
Rot. Bonds3

About N-methyl-6-propan-2-yl-2-pyrimidin-4-ylpyrimidin-4-amine

N-methyl-6-propan-2-yl-2-pyrimidin-4-ylpyrimidin-4-amine (PubChem CID 63984842) has the molecular formula C12H15N5 and a molecular weight of 229.29 g/mol. Its IUPAC name is N-methyl-6-propan-2-yl-2-pyrimidin-4-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-6-propan-2-yl-2-pyrimidin-4-ylpyrimidin-4-amine
PubChem CID63984842
Molecular FormulaC12H15N5
Molecular Weight229.29 g/mol
Exact Mass229.13
IUPAC NameN-methyl-6-propan-2-yl-2-pyrimidin-4-ylpyrimidin-4-amine
SMILESCNc1cc(C(C)C)nc(-c2ccncn2)n1
InChIInChI=1S/C12H15N5/c1-8(2)10-6-11(13-3)17-12(16-10)9-4-5-14-7-15-9/h4-8H,1-3H3,(H,13,16,17)
InChIKeyCPVBQJXTRRGRLA-UHFFFAOYSA-N
XLogP2.10
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.29
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-6-propan-2-yl-2-pyrimidin-4-ylpyrimidin-4-amine?
The IUPAC name of N-methyl-6-propan-2-yl-2-pyrimidin-4-ylpyrimidin-4-amine (CID 63984842) is N-methyl-6-propan-2-yl-2-pyrimidin-4-ylpyrimidin-4-amine.
What is the SMILES notation for N-methyl-6-propan-2-yl-2-pyrimidin-4-ylpyrimidin-4-amine?
The canonical SMILES for N-methyl-6-propan-2-yl-2-pyrimidin-4-ylpyrimidin-4-amine is CNc1cc(C(C)C)nc(-c2ccncn2)n1.
What is the InChIKey of N-methyl-6-propan-2-yl-2-pyrimidin-4-ylpyrimidin-4-amine?
The InChIKey is CPVBQJXTRRGRLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5/c1-8(2)10-6-11(13-3)17-12(16-10)9-4-5-14-7-15-9/h4-8H,1-3H3,(H,13,16,17).
What are the key properties of N-methyl-6-propan-2-yl-2-pyrimidin-4-ylpyrimidin-4-amine?
N-methyl-6-propan-2-yl-2-pyrimidin-4-ylpyrimidin-4-amine has a molecular weight of 229.29 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-propan-2-yl-2-pyrimidin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 63984842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).