4-propan-2-ylpyrimidin-2-amine

C7H11N3 — CID 14639241

IUPAC4-propan-2-ylpyrimidin-2-amine
SMILESCC(C)c1ccnc(N)n1
InChIInChI=1S/C7H11N3/c1-5(2)6-3-4-9-7(8)10-6/h3-5H,1-2H3,(H2,8,9,10)
InChIKeyAVRNZAITOUMSPB-UHFFFAOYSA-N
MW137.19 g/mol
LogP1.18
Rot. Bonds1

About 4-propan-2-ylpyrimidin-2-amine

4-propan-2-ylpyrimidin-2-amine (PubChem CID 14639241) has the molecular formula C7H11N3 and a molecular weight of 137.19 g/mol. Its IUPAC name is 4-propan-2-ylpyrimidin-2-amine.

Molecular Properties

Compound Name4-propan-2-ylpyrimidin-2-amine
PubChem CID14639241
Molecular FormulaC7H11N3
Molecular Weight137.19 g/mol
Exact Mass137.10
IUPAC Name4-propan-2-ylpyrimidin-2-amine
SMILESCC(C)c1ccnc(N)n1
InChIInChI=1S/C7H11N3/c1-5(2)6-3-4-9-7(8)10-6/h3-5H,1-2H3,(H2,8,9,10)
InChIKeyAVRNZAITOUMSPB-UHFFFAOYSA-N
XLogP1.18
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.19
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-ylpyrimidin-2-amine?
The IUPAC name of 4-propan-2-ylpyrimidin-2-amine (CID 14639241) is 4-propan-2-ylpyrimidin-2-amine.
What is the SMILES notation for 4-propan-2-ylpyrimidin-2-amine?
The canonical SMILES for 4-propan-2-ylpyrimidin-2-amine is CC(C)c1ccnc(N)n1.
What is the InChIKey of 4-propan-2-ylpyrimidin-2-amine?
The InChIKey is AVRNZAITOUMSPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3/c1-5(2)6-3-4-9-7(8)10-6/h3-5H,1-2H3,(H2,8,9,10).
What are the key properties of 4-propan-2-ylpyrimidin-2-amine?
4-propan-2-ylpyrimidin-2-amine has a molecular weight of 137.19 g/mol, XLogP of 1.18, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-ylpyrimidin-2-amine is sourced from PubChem (CID 14639241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).