N-cyclopropyl-N-[1-(1,3-oxazol-2-yl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine

C16H18F3N5O — CID 126891020

IUPACN-cyclopropyl-N-[1-(1,3-oxazol-2-yl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine
SMILESFC(F)(F)c1cc(N(C2CC2)C2CCN(c3ncco3)CC2)ncn1
InChIInChI=1S/C16H18F3N5O/c17-16(18,19)13-9-14(22-10-21-13)24(11-1-2-11)12-3-6-23(7-4-12)15-20-5-8-25-15/h5,8-12H,1-4,6-7H2
InChIKeyUVLDXSOGBITTNR-UHFFFAOYSA-N
MW353.35 g/mol
LogP3.12
Rot. Bonds4

About N-cyclopropyl-N-[1-(1,3-oxazol-2-yl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine

N-cyclopropyl-N-[1-(1,3-oxazol-2-yl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 126891020) has the molecular formula C16H18F3N5O and a molecular weight of 353.35 g/mol. Its IUPAC name is N-cyclopropyl-N-[1-(1,3-oxazol-2-yl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-cyclopropyl-N-[1-(1,3-oxazol-2-yl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine
PubChem CID126891020
Molecular FormulaC16H18F3N5O
Molecular Weight353.35 g/mol
Exact Mass353.15
IUPAC NameN-cyclopropyl-N-[1-(1,3-oxazol-2-yl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine
SMILESFC(F)(F)c1cc(N(C2CC2)C2CCN(c3ncco3)CC2)ncn1
InChIInChI=1S/C16H18F3N5O/c17-16(18,19)13-9-14(22-10-21-13)24(11-1-2-11)12-3-6-23(7-4-12)15-20-5-8-25-15/h5,8-12H,1-4,6-7H2
InChIKeyUVLDXSOGBITTNR-UHFFFAOYSA-N
XLogP3.12
TPSA58.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.35
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-cyclopropyl-N-[1-(1,3-oxazol-2-yl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine with MolForge

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Related Compounds

4-N-cyclopropyl-6-N,6-N-dimethyl-4-N-[1-(1,3-oxazol-2-yl)piperidin-4-yl]pyrimidine-4,6-diamine
CID 126891615
N-cyclopropyl-6-methyl-N-[1-(1,3-oxazol-2-yl)piperidin-4-yl]pyrimidin-4-amine
CID 126890697
3-[4-[cyclopropyl-[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]pyrazine-2-carbonitrile
CID 126890835
cyclopropyl-[4-[cyclopropyl-[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]methanone
CID 126890785
N-cyclopropyl-N-piperidin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine
CID 126851873
N-cyclopropyl-N-[1-(7H-purin-6-yl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 126890839
N-cyclopropyl-N-[1-(1,3,4-oxadiazol-2-ylmethyl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 126890935
N-cyclopropyl-N-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 126890944
N-cyclopropyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 126890840
N-cyclopropyl-N-[1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 126890934
N-cyclopropyl-6-methyl-N-[1-(1,3-oxazol-2-ylmethyl)piperidin-4-yl]pyrimidin-4-amine
CID 126890553
4-N,4-N-dimethyl-6-N-[1-(1,3-oxazol-2-yl)piperidin-4-yl]pyrimidine-4,6-diamine
CID 126888667

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[1-(1,3-oxazol-2-yl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of N-cyclopropyl-N-[1-(1,3-oxazol-2-yl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine (CID 126891020) is N-cyclopropyl-N-[1-(1,3-oxazol-2-yl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for N-cyclopropyl-N-[1-(1,3-oxazol-2-yl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for N-cyclopropyl-N-[1-(1,3-oxazol-2-yl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine is FC(F)(F)c1cc(N(C2CC2)C2CCN(c3ncco3)CC2)ncn1.
What is the InChIKey of N-cyclopropyl-N-[1-(1,3-oxazol-2-yl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is UVLDXSOGBITTNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N5O/c17-16(18,19)13-9-14(22-10-21-13)24(11-1-2-11)12-3-6-23(7-4-12)15-20-5-8-25-15/h5,8-12H,1-4,6-7H2.
What are the key properties of N-cyclopropyl-N-[1-(1,3-oxazol-2-yl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine?
N-cyclopropyl-N-[1-(1,3-oxazol-2-yl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 353.35 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[1-(1,3-oxazol-2-yl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 126891020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).