4-pentan-3-ylpyrimidin-2-amine

C9H15N3 — CID 90738361

IUPAC4-pentan-3-ylpyrimidin-2-amine
SMILESCCC(CC)c1ccnc(N)n1
InChIInChI=1S/C9H15N3/c1-3-7(4-2)8-5-6-11-9(10)12-8/h5-7H,3-4H2,1-2H3,(H2,10,11,12)
InChIKeyIOXXYJKXMPNCDJ-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.96
Rot. Bonds3

About 4-pentan-3-ylpyrimidin-2-amine

4-pentan-3-ylpyrimidin-2-amine (PubChem CID 90738361) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is 4-pentan-3-ylpyrimidin-2-amine.

Molecular Properties

Compound Name4-pentan-3-ylpyrimidin-2-amine
PubChem CID90738361
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC Name4-pentan-3-ylpyrimidin-2-amine
SMILESCCC(CC)c1ccnc(N)n1
InChIInChI=1S/C9H15N3/c1-3-7(4-2)8-5-6-11-9(10)12-8/h5-7H,3-4H2,1-2H3,(H2,10,11,12)
InChIKeyIOXXYJKXMPNCDJ-UHFFFAOYSA-N
XLogP1.96
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(1S)-1-aminoethyl]pyrimidin-2-amine
CID 82418451
4-[amino(phenyl)methyl]pyrimidin-2-amine
CID 112708629
4-propoxypyrimidin-2-amine
CID 79002172
4-N-(4-methylhexan-2-yl)pyrimidine-2,4-diamine
CID 80846918
ethane;2-pentan-3-ylpyridine
CID 142883968
4-[1-(2-chlorophenyl)sulfanylethyl]pyrimidin-2-amine
CID 67260945
4-(2,2-difluoroethyl)pyrimidin-2-amine
CID 142783789
4-N-decylpyrimidine-2,4-diamine
CID 56985914
4-N-octylpyrimidine-2,4-diamine
CID 18766008
4-nonadecylpyrimidin-2-amine
CID 141119145
4-(1-ethyltriazol-4-yl)pyrimidin-2-amine
CID 137487091
4-N-(2-ethoxyethyl)pyrimidine-2,4-diamine
CID 80792890

Frequently Asked Questions

What is the IUPAC name of 4-pentan-3-ylpyrimidin-2-amine?
The IUPAC name of 4-pentan-3-ylpyrimidin-2-amine (CID 90738361) is 4-pentan-3-ylpyrimidin-2-amine.
What is the SMILES notation for 4-pentan-3-ylpyrimidin-2-amine?
The canonical SMILES for 4-pentan-3-ylpyrimidin-2-amine is CCC(CC)c1ccnc(N)n1.
What is the InChIKey of 4-pentan-3-ylpyrimidin-2-amine?
The InChIKey is IOXXYJKXMPNCDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3/c1-3-7(4-2)8-5-6-11-9(10)12-8/h5-7H,3-4H2,1-2H3,(H2,10,11,12).
What are the key properties of 4-pentan-3-ylpyrimidin-2-amine?
4-pentan-3-ylpyrimidin-2-amine has a molecular weight of 165.24 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pentan-3-ylpyrimidin-2-amine is sourced from PubChem (CID 90738361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).