2-(6-methoxypyrimidin-4-yl)-4-propan-2-ylpyrimidin-5-amine

C12H15N5O — CID 114207194

IUPAC2-(6-methoxypyrimidin-4-yl)-4-propan-2-ylpyrimidin-5-amine
SMILESCOc1cc(-c2ncc(N)c(C(C)C)n2)ncn1
InChIInChI=1S/C12H15N5O/c1-7(2)11-8(13)5-14-12(17-11)9-4-10(18-3)16-6-15-9/h4-7H,13H2,1-3H3
InChIKeyRINSDKVFCCGPGQ-UHFFFAOYSA-N
MW245.29 g/mol
LogP1.65
Rot. Bonds3

About 2-(6-methoxypyrimidin-4-yl)-4-propan-2-ylpyrimidin-5-amine

2-(6-methoxypyrimidin-4-yl)-4-propan-2-ylpyrimidin-5-amine (PubChem CID 114207194) has the molecular formula C12H15N5O and a molecular weight of 245.29 g/mol. Its IUPAC name is 2-(6-methoxypyrimidin-4-yl)-4-propan-2-ylpyrimidin-5-amine.

Molecular Properties

Compound Name2-(6-methoxypyrimidin-4-yl)-4-propan-2-ylpyrimidin-5-amine
PubChem CID114207194
Molecular FormulaC12H15N5O
Molecular Weight245.29 g/mol
Exact Mass245.13
IUPAC Name2-(6-methoxypyrimidin-4-yl)-4-propan-2-ylpyrimidin-5-amine
SMILESCOc1cc(-c2ncc(N)c(C(C)C)n2)ncn1
InChIInChI=1S/C12H15N5O/c1-7(2)11-8(13)5-14-12(17-11)9-4-10(18-3)16-6-15-9/h4-7H,13H2,1-3H3
InChIKeyRINSDKVFCCGPGQ-UHFFFAOYSA-N
XLogP1.65
TPSA86.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(6-methoxypyrimidin-4-yl)-4-propan-2-ylpyrimidin-5-amine?
The IUPAC name of 2-(6-methoxypyrimidin-4-yl)-4-propan-2-ylpyrimidin-5-amine (CID 114207194) is 2-(6-methoxypyrimidin-4-yl)-4-propan-2-ylpyrimidin-5-amine.
What is the SMILES notation for 2-(6-methoxypyrimidin-4-yl)-4-propan-2-ylpyrimidin-5-amine?
The canonical SMILES for 2-(6-methoxypyrimidin-4-yl)-4-propan-2-ylpyrimidin-5-amine is COc1cc(-c2ncc(N)c(C(C)C)n2)ncn1.
What is the InChIKey of 2-(6-methoxypyrimidin-4-yl)-4-propan-2-ylpyrimidin-5-amine?
The InChIKey is RINSDKVFCCGPGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O/c1-7(2)11-8(13)5-14-12(17-11)9-4-10(18-3)16-6-15-9/h4-7H,13H2,1-3H3.
What are the key properties of 2-(6-methoxypyrimidin-4-yl)-4-propan-2-ylpyrimidin-5-amine?
2-(6-methoxypyrimidin-4-yl)-4-propan-2-ylpyrimidin-5-amine has a molecular weight of 245.29 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methoxypyrimidin-4-yl)-4-propan-2-ylpyrimidin-5-amine is sourced from PubChem (CID 114207194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).