1-(4-propan-2-ylpyrimidin-2-yl)propan-2-amine

C10H17N3 — CID 63318928

IUPAC1-(4-propan-2-ylpyrimidin-2-yl)propan-2-amine
SMILESCC(N)Cc1nccc(C(C)C)n1
InChIInChI=1S/C10H17N3/c1-7(2)9-4-5-12-10(13-9)6-8(3)11/h4-5,7-8H,6,11H2,1-3H3
InChIKeyJYTRVBHVMUNSFK-UHFFFAOYSA-N
MW179.27 g/mol
LogP1.49
Rot. Bonds3

About 1-(4-propan-2-ylpyrimidin-2-yl)propan-2-amine

1-(4-propan-2-ylpyrimidin-2-yl)propan-2-amine (PubChem CID 63318928) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is 1-(4-propan-2-ylpyrimidin-2-yl)propan-2-amine.

Molecular Properties

Compound Name1-(4-propan-2-ylpyrimidin-2-yl)propan-2-amine
PubChem CID63318928
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name1-(4-propan-2-ylpyrimidin-2-yl)propan-2-amine
SMILESCC(N)Cc1nccc(C(C)C)n1
InChIInChI=1S/C10H17N3/c1-7(2)9-4-5-12-10(13-9)6-8(3)11/h4-5,7-8H,6,11H2,1-3H3
InChIKeyJYTRVBHVMUNSFK-UHFFFAOYSA-N
XLogP1.49
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-propan-2-ylpyrimidin-2-yl)propan-2-amine?
The IUPAC name of 1-(4-propan-2-ylpyrimidin-2-yl)propan-2-amine (CID 63318928) is 1-(4-propan-2-ylpyrimidin-2-yl)propan-2-amine.
What is the SMILES notation for 1-(4-propan-2-ylpyrimidin-2-yl)propan-2-amine?
The canonical SMILES for 1-(4-propan-2-ylpyrimidin-2-yl)propan-2-amine is CC(N)Cc1nccc(C(C)C)n1.
What is the InChIKey of 1-(4-propan-2-ylpyrimidin-2-yl)propan-2-amine?
The InChIKey is JYTRVBHVMUNSFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-7(2)9-4-5-12-10(13-9)6-8(3)11/h4-5,7-8H,6,11H2,1-3H3.
What are the key properties of 1-(4-propan-2-ylpyrimidin-2-yl)propan-2-amine?
1-(4-propan-2-ylpyrimidin-2-yl)propan-2-amine has a molecular weight of 179.27 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propan-2-ylpyrimidin-2-yl)propan-2-amine is sourced from PubChem (CID 63318928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).