2-propan-2-ylpyrimidin-5-amine

C7H11N3 — CID 43142233

IUPAC2-propan-2-ylpyrimidin-5-amine
SMILESCC(C)c1ncc(N)cn1
InChIInChI=1S/C7H11N3/c1-5(2)7-9-3-6(8)4-10-7/h3-5H,8H2,1-2H3
InChIKeyUQHUGWKIMAKEBO-UHFFFAOYSA-N
MW137.19 g/mol
LogP1.18
Rot. Bonds1

About 2-propan-2-ylpyrimidin-5-amine

2-propan-2-ylpyrimidin-5-amine (PubChem CID 43142233) has the molecular formula C7H11N3 and a molecular weight of 137.19 g/mol. Its IUPAC name is 2-propan-2-ylpyrimidin-5-amine.

Molecular Properties

Compound Name2-propan-2-ylpyrimidin-5-amine
PubChem CID43142233
Molecular FormulaC7H11N3
Molecular Weight137.19 g/mol
Exact Mass137.10
IUPAC Name2-propan-2-ylpyrimidin-5-amine
SMILESCC(C)c1ncc(N)cn1
InChIInChI=1S/C7H11N3/c1-5(2)7-9-3-6(8)4-10-7/h3-5H,8H2,1-2H3
InChIKeyUQHUGWKIMAKEBO-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 2-propan-2-ylpyrimidin-5-amine?
The IUPAC name of 2-propan-2-ylpyrimidin-5-amine (CID 43142233) is 2-propan-2-ylpyrimidin-5-amine.
What is the SMILES notation for 2-propan-2-ylpyrimidin-5-amine?
The canonical SMILES for 2-propan-2-ylpyrimidin-5-amine is CC(C)c1ncc(N)cn1.
What is the InChIKey of 2-propan-2-ylpyrimidin-5-amine?
The InChIKey is UQHUGWKIMAKEBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3/c1-5(2)7-9-3-6(8)4-10-7/h3-5H,8H2,1-2H3.
What are the key properties of 2-propan-2-ylpyrimidin-5-amine?
2-propan-2-ylpyrimidin-5-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 2-propan-2-ylpyrimidin-5-amine is sourced from PubChem (CID 43142233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).