5-methyl-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]pyrimidin-2-amine

C14H24N4 — CID 97194897

IUPAC5-methyl-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]pyrimidin-2-amine
SMILESCc1cnc(NCCCN2CCC[C@H](C)C2)nc1
InChIInChI=1S/C14H24N4/c1-12-5-3-7-18(11-12)8-4-6-15-14-16-9-13(2)10-17-14/h9-10,12H,3-8,11H2,1-2H3,(H,15,16,17)/t12-/m0/s1
InChIKeyQAJHJUULKZBOPZ-LBPRGKRZSA-N
MW248.37 g/mol
LogP2.32
Rot. Bonds5

About 5-methyl-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]pyrimidin-2-amine

5-methyl-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]pyrimidin-2-amine (PubChem CID 97194897) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is 5-methyl-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-methyl-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]pyrimidin-2-amine
PubChem CID97194897
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC Name5-methyl-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]pyrimidin-2-amine
SMILESCc1cnc(NCCCN2CCC[C@H](C)C2)nc1
InChIInChI=1S/C14H24N4/c1-12-5-3-7-18(11-12)8-4-6-15-14-16-9-13(2)10-17-14/h9-10,12H,3-8,11H2,1-2H3,(H,15,16,17)/t12-/m0/s1
InChIKeyQAJHJUULKZBOPZ-LBPRGKRZSA-N
XLogP2.32
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-methyl-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]pyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]pyrimidin-2-amine?
The IUPAC name of 5-methyl-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]pyrimidin-2-amine (CID 97194897) is 5-methyl-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]pyrimidin-2-amine.
What is the SMILES notation for 5-methyl-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]pyrimidin-2-amine?
The canonical SMILES for 5-methyl-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]pyrimidin-2-amine is Cc1cnc(NCCCN2CCC[C@H](C)C2)nc1.
What is the InChIKey of 5-methyl-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]pyrimidin-2-amine?
The InChIKey is QAJHJUULKZBOPZ-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H24N4/c1-12-5-3-7-18(11-12)8-4-6-15-14-16-9-13(2)10-17-14/h9-10,12H,3-8,11H2,1-2H3,(H,15,16,17)/t12-/m0/s1.
What are the key properties of 5-methyl-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]pyrimidin-2-amine?
5-methyl-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]pyrimidin-2-amine has a molecular weight of 248.37 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]pyrimidin-2-amine is sourced from PubChem (CID 97194897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).