4-piperidin-4-yl-5-(trifluoromethyl)pyrimidin-2-amine

C10H13F3N4 — CID 69402572

IUPAC4-piperidin-4-yl-5-(trifluoromethyl)pyrimidin-2-amine
SMILESNc1ncc(C(F)(F)F)c(C2CCNCC2)n1
InChIInChI=1S/C10H13F3N4/c11-10(12,13)7-5-16-9(14)17-8(7)6-1-3-15-4-2-6/h5-6,15H,1-4H2,(H2,14,16,17)
InChIKeyFMVDAPPTPFJHJD-UHFFFAOYSA-N
MW246.24 g/mol
LogP1.54
Rot. Bonds1

About 4-piperidin-4-yl-5-(trifluoromethyl)pyrimidin-2-amine

4-piperidin-4-yl-5-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 69402572) has the molecular formula C10H13F3N4 and a molecular weight of 246.24 g/mol. Its IUPAC name is 4-piperidin-4-yl-5-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-piperidin-4-yl-5-(trifluoromethyl)pyrimidin-2-amine
PubChem CID69402572
Molecular FormulaC10H13F3N4
Molecular Weight246.24 g/mol
Exact Mass246.11
IUPAC Name4-piperidin-4-yl-5-(trifluoromethyl)pyrimidin-2-amine
SMILESNc1ncc(C(F)(F)F)c(C2CCNCC2)n1
InChIInChI=1S/C10H13F3N4/c11-10(12,13)7-5-16-9(14)17-8(7)6-1-3-15-4-2-6/h5-6,15H,1-4H2,(H2,14,16,17)
InChIKeyFMVDAPPTPFJHJD-UHFFFAOYSA-N
XLogP1.54
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.24
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4,6,12-Triazatricyclo(7.2.1.0,2,7)dodeca-2,4,6-triene
CID 44304974
5,6,7,8-Tetrahydroquinazolin-2-amine
CID 224783
5H,6H,7H,8H-pyrido(4,3-d)pyrimidine
CID 10932674
5H,6H,7H,8H-pyrido[3,4-d]pyrimidine
CID 21983612
2-(trifluoromethyl)-5H,6H,7H,8H-pyrido[4,3-d]pyrimidine
CID 53471483
5H,6H,7H,8H,9H-cyclohepta(d)pyrimidin-2-amine
CID 63547880
N-methyl-N-{[2-(methylamino)pyrimidin-5-yl]methyl}-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
CID 56877238
6-Methyl-5,6,7,8-tetrahydro-pyrido[4,3-d]pyrimidin-2-ylamine
CID 12450594
5,6,7,8,9,10-Hexahydrocycloocta[d]pyrimidin-2-amine
CID 57327898
2-Methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 11096174
4-(Piperidin-4-yl)pyrimidine
CID 17894842
5,6,7,8-Tetrahydropyrido[4,3-d]pyrimidine dihydrochloride
CID 19883247

Frequently Asked Questions

What is the IUPAC name of 4-piperidin-4-yl-5-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of 4-piperidin-4-yl-5-(trifluoromethyl)pyrimidin-2-amine (CID 69402572) is 4-piperidin-4-yl-5-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-piperidin-4-yl-5-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for 4-piperidin-4-yl-5-(trifluoromethyl)pyrimidin-2-amine is Nc1ncc(C(F)(F)F)c(C2CCNCC2)n1.
What is the InChIKey of 4-piperidin-4-yl-5-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is FMVDAPPTPFJHJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N4/c11-10(12,13)7-5-16-9(14)17-8(7)6-1-3-15-4-2-6/h5-6,15H,1-4H2,(H2,14,16,17).
What are the key properties of 4-piperidin-4-yl-5-(trifluoromethyl)pyrimidin-2-amine?
4-piperidin-4-yl-5-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 246.24 g/mol, XLogP of 1.54, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperidin-4-yl-5-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 69402572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).