6-pentan-3-yl-N-piperidin-3-ylpyrimidin-4-amine

C14H24N4 — CID 126848416

IUPAC6-pentan-3-yl-N-piperidin-3-ylpyrimidin-4-amine
SMILESCCC(CC)c1cc(NC2CCCNC2)ncn1
InChIInChI=1S/C14H24N4/c1-3-11(4-2)13-8-14(17-10-16-13)18-12-6-5-7-15-9-12/h8,10-12,15H,3-7,9H2,1-2H3,(H,16,17,18)
InChIKeyGVTKDSQIIRJGGW-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.54
Rot. Bonds5

About 6-pentan-3-yl-N-piperidin-3-ylpyrimidin-4-amine

6-pentan-3-yl-N-piperidin-3-ylpyrimidin-4-amine (PubChem CID 126848416) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is 6-pentan-3-yl-N-piperidin-3-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-pentan-3-yl-N-piperidin-3-ylpyrimidin-4-amine
PubChem CID126848416
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC Name6-pentan-3-yl-N-piperidin-3-ylpyrimidin-4-amine
SMILESCCC(CC)c1cc(NC2CCCNC2)ncn1
InChIInChI=1S/C14H24N4/c1-3-11(4-2)13-8-14(17-10-16-13)18-12-6-5-7-15-9-12/h8,10-12,15H,3-7,9H2,1-2H3,(H,16,17,18)
InChIKeyGVTKDSQIIRJGGW-UHFFFAOYSA-N
XLogP2.54
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-ethoxy-N-piperidin-3-ylpyrimidin-4-amine
CID 66319465
6-N-cyclobutyl-4-N-pyrrolidin-3-ylpyrimidine-4,6-diamine
CID 115264180
6-ethoxy-N-pyrrolidin-3-ylpyrimidin-4-amine
CID 66319236
tert-butyl 3-[(6-pentan-3-ylpyrimidin-4-yl)amino]azetidine-1-carboxylate
CID 126849675
6-N-cyclopropyl-4-N-methyl-4-N-[(3R)-piperidin-3-yl]pyrimidine-4,6-diamine
CID 96555845
6-N-cyclobutyl-2-methyl-4-N-piperidin-3-ylpyrimidine-4,6-diamine
CID 115266503
6-chloro-N-[(3R)-pyrrolidin-3-yl]pyrimidin-4-amine
CID 71639835
4-methyl-N-[(3R)-piperidin-3-yl]pyridin-2-amine;hydrochloride
CID 71638526
N-(6-propylpyrimidin-4-yl)azepan-4-amine
CID 107173664
6-N-(3,3-dimethylbutyl)-4-N-pyrrolidin-3-ylpyrimidine-4,6-diamine
CID 67157079
6-(furan-3-yl)-N-piperidin-3-ylpyrimidin-4-amine
CID 126848519
4-N-ethyl-4-N,2-dimethyl-6-N-piperidin-3-ylpyrimidine-4,6-diamine
CID 115266504

Frequently Asked Questions

What is the IUPAC name of 6-pentan-3-yl-N-piperidin-3-ylpyrimidin-4-amine?
The IUPAC name of 6-pentan-3-yl-N-piperidin-3-ylpyrimidin-4-amine (CID 126848416) is 6-pentan-3-yl-N-piperidin-3-ylpyrimidin-4-amine.
What is the SMILES notation for 6-pentan-3-yl-N-piperidin-3-ylpyrimidin-4-amine?
The canonical SMILES for 6-pentan-3-yl-N-piperidin-3-ylpyrimidin-4-amine is CCC(CC)c1cc(NC2CCCNC2)ncn1.
What is the InChIKey of 6-pentan-3-yl-N-piperidin-3-ylpyrimidin-4-amine?
The InChIKey is GVTKDSQIIRJGGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c1-3-11(4-2)13-8-14(17-10-16-13)18-12-6-5-7-15-9-12/h8,10-12,15H,3-7,9H2,1-2H3,(H,16,17,18).
What are the key properties of 6-pentan-3-yl-N-piperidin-3-ylpyrimidin-4-amine?
6-pentan-3-yl-N-piperidin-3-ylpyrimidin-4-amine has a molecular weight of 248.37 g/mol, XLogP of 2.54, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pentan-3-yl-N-piperidin-3-ylpyrimidin-4-amine is sourced from PubChem (CID 126848416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).