5-propan-2-ylpyrimidin-2-amine

C7H11N3 — CID 20823899

IUPAC5-propan-2-ylpyrimidin-2-amine
SMILESCC(C)c1cnc(N)nc1
InChIInChI=1S/C7H11N3/c1-5(2)6-3-9-7(8)10-4-6/h3-5H,1-2H3,(H2,8,9,10)
InChIKeyYKVWHWNSINXNPF-UHFFFAOYSA-N
MW137.19 g/mol
LogP1.18
Rot. Bonds1

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

5-propan-2-ylpyrimidin-2-amine (PubChem CID 20823899) has the molecular formula C7H11N3 and a molecular weight of 137.19 g/mol. Its IUPAC name is 5-propan-2-ylpyrimidin-2-amine.

Molecular Properties

Compound Name5-propan-2-ylpyrimidin-2-amine
PubChem CID20823899
Molecular FormulaC7H11N3
Molecular Weight137.19 g/mol
Exact Mass137.10
IUPAC Name5-propan-2-ylpyrimidin-2-amine
SMILESCC(C)c1cnc(N)nc1
InChIInChI=1S/C7H11N3/c1-5(2)6-3-9-7(8)10-4-6/h3-5H,1-2H3,(H2,8,9,10)
InChIKeyYKVWHWNSINXNPF-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 5-propan-2-ylpyrimidin-2-amine?
The IUPAC name of 5-propan-2-ylpyrimidin-2-amine (CID 20823899) is 5-propan-2-ylpyrimidin-2-amine.
What is the SMILES notation for 5-propan-2-ylpyrimidin-2-amine?
The canonical SMILES for 5-propan-2-ylpyrimidin-2-amine is CC(C)c1cnc(N)nc1.
What is the InChIKey of 5-propan-2-ylpyrimidin-2-amine?
The InChIKey is YKVWHWNSINXNPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3/c1-5(2)6-3-9-7(8)10-4-6/h3-5H,1-2H3,(H2,8,9,10).
What are the key properties of 5-propan-2-ylpyrimidin-2-amine?
5-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 5-propan-2-ylpyrimidin-2-amine is sourced from PubChem (CID 20823899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).