2-chloro-N,5-dimethyl-N-prop-1-ynyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-amine

C15H18ClF3N4 — CID 168905455

IUPAC2-chloro-N,5-dimethyl-N-prop-1-ynyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-amine
SMILESCC#CN(C)c1nc(Cl)nc(N2CCC(C(F)(F)F)CC2)c1C
InChIInChI=1S/C15H18ClF3N4/c1-4-7-22(3)12-10(2)13(21-14(16)20-12)23-8-5-11(6-9-23)15(17,18)19/h11H,5-6,8-9H2,1-3H3
InChIKeyPORYTYHGMHVVFC-UHFFFAOYSA-N
MW346.78 g/mol
LogP3.63
Rot. Bonds2

About 2-chloro-N,5-dimethyl-N-prop-1-ynyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-amine

2-chloro-N,5-dimethyl-N-prop-1-ynyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-amine (PubChem CID 168905455) has the molecular formula C15H18ClF3N4 and a molecular weight of 346.78 g/mol. Its IUPAC name is 2-chloro-N,5-dimethyl-N-prop-1-ynyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N,5-dimethyl-N-prop-1-ynyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-amine
PubChem CID168905455
Molecular FormulaC15H18ClF3N4
Molecular Weight346.78 g/mol
Exact Mass346.12
IUPAC Name2-chloro-N,5-dimethyl-N-prop-1-ynyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-amine
SMILESCC#CN(C)c1nc(Cl)nc(N2CCC(C(F)(F)F)CC2)c1C
InChIInChI=1S/C15H18ClF3N4/c1-4-7-22(3)12-10(2)13(21-14(16)20-12)23-8-5-11(6-9-23)15(17,18)19/h11H,5-6,8-9H2,1-3H3
InChIKeyPORYTYHGMHVVFC-UHFFFAOYSA-N
XLogP3.63
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.78
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-chloro-N,5-dimethyl-N-prop-1-ynyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-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 2-chloro-N,5-dimethyl-N-prop-1-ynyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-amine?
The IUPAC name of 2-chloro-N,5-dimethyl-N-prop-1-ynyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-amine (CID 168905455) is 2-chloro-N,5-dimethyl-N-prop-1-ynyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N,5-dimethyl-N-prop-1-ynyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-amine?
The canonical SMILES for 2-chloro-N,5-dimethyl-N-prop-1-ynyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-amine is CC#CN(C)c1nc(Cl)nc(N2CCC(C(F)(F)F)CC2)c1C.
What is the InChIKey of 2-chloro-N,5-dimethyl-N-prop-1-ynyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-amine?
The InChIKey is PORYTYHGMHVVFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClF3N4/c1-4-7-22(3)12-10(2)13(21-14(16)20-12)23-8-5-11(6-9-23)15(17,18)19/h11H,5-6,8-9H2,1-3H3.
What are the key properties of 2-chloro-N,5-dimethyl-N-prop-1-ynyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-amine?
2-chloro-N,5-dimethyl-N-prop-1-ynyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-amine has a molecular weight of 346.78 g/mol, XLogP of 3.63, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N,5-dimethyl-N-prop-1-ynyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-amine is sourced from PubChem (CID 168905455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).