6-butan-2-yl-2-cyclopropylpyrimidin-4-amine

C11H17N3 — CID 122238996

IUPAC6-butan-2-yl-2-cyclopropylpyrimidin-4-amine
SMILESCCC(C)c1cc(N)nc(C2CC2)n1
InChIInChI=1S/C11H17N3/c1-3-7(2)9-6-10(12)14-11(13-9)8-4-5-8/h6-8H,3-5H2,1-2H3,(H2,12,13,14)
InChIKeyZZYCLYLXAZWZRH-UHFFFAOYSA-N
MW191.28 g/mol
LogP2.45
Rot. Bonds3

About 6-butan-2-yl-2-cyclopropylpyrimidin-4-amine

6-butan-2-yl-2-cyclopropylpyrimidin-4-amine (PubChem CID 122238996) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is 6-butan-2-yl-2-cyclopropylpyrimidin-4-amine.

Molecular Properties

Compound Name6-butan-2-yl-2-cyclopropylpyrimidin-4-amine
PubChem CID122238996
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC Name6-butan-2-yl-2-cyclopropylpyrimidin-4-amine
SMILESCCC(C)c1cc(N)nc(C2CC2)n1
InChIInChI=1S/C11H17N3/c1-3-7(2)9-6-10(12)14-11(13-9)8-4-5-8/h6-8H,3-5H2,1-2H3,(H2,12,13,14)
InChIKeyZZYCLYLXAZWZRH-UHFFFAOYSA-N
XLogP2.45
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-butan-2-yl-2-cyclopropylpyrimidine-4-carboxylic acid
CID 121206911
4-N-[(2S)-butan-2-yl]-2-cyclopropylpyrimidine-4,6-diamine
CID 129372160
2-cyclopropyl-4-N-propylpyrimidine-4,6-diamine
CID 80956858
2-cyclopropyl-4-N-methyl-4-N-pentan-3-ylpyrimidine-4,6-diamine
CID 80967434
2-(3-ethylcyclohexyl)-6-propan-2-ylpyrimidin-4-amine
CID 65415033
2-cyclopropyl-4-N-ethyl-4-N-(2-methylbutyl)pyrimidine-4,6-diamine
CID 80959981
2-cyclopropyl-4-N-(2-methylpropyl)-4-N-pentan-3-ylpyrimidine-4,6-diamine
CID 80959517
6-methyl-2-(4-propan-2-ylcyclohexyl)pyrimidin-4-amine
CID 65400159
2-cyclopropyl-6-pentan-2-yloxypyrimidin-4-amine
CID 102989352
2-cyclopropyl-4-N-methyl-4-N-propan-2-ylpyrimidine-4,6-diamine
CID 80956522
2-cyclopropyl-6-propoxypyrimidin-4-amine
CID 80965669
2-cyclopropyl-4-N-(2-phenylpropyl)pyrimidine-4,6-diamine
CID 104592592

Frequently Asked Questions

What is the IUPAC name of 6-butan-2-yl-2-cyclopropylpyrimidin-4-amine?
The IUPAC name of 6-butan-2-yl-2-cyclopropylpyrimidin-4-amine (CID 122238996) is 6-butan-2-yl-2-cyclopropylpyrimidin-4-amine.
What is the SMILES notation for 6-butan-2-yl-2-cyclopropylpyrimidin-4-amine?
The canonical SMILES for 6-butan-2-yl-2-cyclopropylpyrimidin-4-amine is CCC(C)c1cc(N)nc(C2CC2)n1.
What is the InChIKey of 6-butan-2-yl-2-cyclopropylpyrimidin-4-amine?
The InChIKey is ZZYCLYLXAZWZRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3/c1-3-7(2)9-6-10(12)14-11(13-9)8-4-5-8/h6-8H,3-5H2,1-2H3,(H2,12,13,14).
What are the key properties of 6-butan-2-yl-2-cyclopropylpyrimidin-4-amine?
6-butan-2-yl-2-cyclopropylpyrimidin-4-amine has a molecular weight of 191.28 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butan-2-yl-2-cyclopropylpyrimidin-4-amine is sourced from PubChem (CID 122238996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).