4-(3-methylpiperidin-1-yl)-N-propyl-6-(trifluoromethyl)pyrimidin-2-amine

C14H21F3N4 — CID 114563756

IUPAC4-(3-methylpiperidin-1-yl)-N-propyl-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCCCNc1nc(N2CCCC(C)C2)cc(C(F)(F)F)n1
InChIInChI=1S/C14H21F3N4/c1-3-6-18-13-19-11(14(15,16)17)8-12(20-13)21-7-4-5-10(2)9-21/h8,10H,3-7,9H2,1-2H3,(H,18,19,20)
InChIKeyCXDPTGMAYWBJMC-UHFFFAOYSA-N
MW302.34 g/mol
LogP3.55
Rot. Bonds4

About 4-(3-methylpiperidin-1-yl)-N-propyl-6-(trifluoromethyl)pyrimidin-2-amine

4-(3-methylpiperidin-1-yl)-N-propyl-6-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 114563756) has the molecular formula C14H21F3N4 and a molecular weight of 302.34 g/mol. Its IUPAC name is 4-(3-methylpiperidin-1-yl)-N-propyl-6-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(3-methylpiperidin-1-yl)-N-propyl-6-(trifluoromethyl)pyrimidin-2-amine
PubChem CID114563756
Molecular FormulaC14H21F3N4
Molecular Weight302.34 g/mol
Exact Mass302.17
IUPAC Name4-(3-methylpiperidin-1-yl)-N-propyl-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCCCNc1nc(N2CCCC(C)C2)cc(C(F)(F)F)n1
InChIInChI=1S/C14H21F3N4/c1-3-6-18-13-19-11(14(15,16)17)8-12(20-13)21-7-4-5-10(2)9-21/h8,10H,3-7,9H2,1-2H3,(H,18,19,20)
InChIKeyCXDPTGMAYWBJMC-UHFFFAOYSA-N
XLogP3.55
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-tert-butyl-3-[4-(3-methylpiperidin-1-yl)-6-(trifluoromethyl)pyrimidin-2-yl]thiourea
CID 133254321
1-cyclopentyl-3-[4-[(3R)-3-methylpiperidin-1-yl]-6-(trifluoromethyl)pyrimidin-2-yl]thiourea
CID 100790829
6-(3-methylpiperidin-1-yl)-N-propylpyridin-2-amine
CID 80764364
4-(2,2-dimethylpyrrolidin-1-yl)-N-propyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114565002
[4-(3-methoxypiperidin-1-yl)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
CID 102972022
N-ethyl-4-(2-methylthiomorpholin-4-yl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 114565946
1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-[4-[(3R)-3-methylpiperidin-1-yl]-6-(trifluoromethyl)pyrimidin-2-yl]thiourea
CID 100791920
1-[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-ol
CID 114563784
4-(3-ethylpyrrolidin-1-yl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114565756
1-[4-(azepan-1-yl)-6-[(3R)-3-methylpiperidin-1-yl]pyrimidin-2-yl]-3-propylthiourea
CID 100774788
N',N'-dimethyl-N-[4-(3-methylpiperidin-1-yl)-6-phenylpyrimidin-2-yl]ethane-1,2-diamine
CID 112935945
4-N-cyclobutyl-4-N-methyl-2-N-propyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114565958

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylpiperidin-1-yl)-N-propyl-6-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of 4-(3-methylpiperidin-1-yl)-N-propyl-6-(trifluoromethyl)pyrimidin-2-amine (CID 114563756) is 4-(3-methylpiperidin-1-yl)-N-propyl-6-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(3-methylpiperidin-1-yl)-N-propyl-6-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for 4-(3-methylpiperidin-1-yl)-N-propyl-6-(trifluoromethyl)pyrimidin-2-amine is CCCNc1nc(N2CCCC(C)C2)cc(C(F)(F)F)n1.
What is the InChIKey of 4-(3-methylpiperidin-1-yl)-N-propyl-6-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is CXDPTGMAYWBJMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N4/c1-3-6-18-13-19-11(14(15,16)17)8-12(20-13)21-7-4-5-10(2)9-21/h8,10H,3-7,9H2,1-2H3,(H,18,19,20).
What are the key properties of 4-(3-methylpiperidin-1-yl)-N-propyl-6-(trifluoromethyl)pyrimidin-2-amine?
4-(3-methylpiperidin-1-yl)-N-propyl-6-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 302.34 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylpiperidin-1-yl)-N-propyl-6-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 114563756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).