N-(oxan-4-ylmethyl)-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine

C13H18F3N3O — CID 56863545

IUPACN-(oxan-4-ylmethyl)-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
SMILESFC(F)(F)CCc1ccnc(NCC2CCOCC2)n1
InChIInChI=1S/C13H18F3N3O/c14-13(15,16)5-1-11-2-6-17-12(19-11)18-9-10-3-7-20-8-4-10/h2,6,10H,1,3-5,7-9H2,(H,17,18,19)
InChIKeyGTIFPZQVFGYRMX-UHFFFAOYSA-N
MW289.30 g/mol
LogP2.81
Rot. Bonds5

About N-(oxan-4-ylmethyl)-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine

N-(oxan-4-ylmethyl)-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine (PubChem CID 56863545) has the molecular formula C13H18F3N3O and a molecular weight of 289.30 g/mol. Its IUPAC name is N-(oxan-4-ylmethyl)-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(oxan-4-ylmethyl)-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
PubChem CID56863545
Molecular FormulaC13H18F3N3O
Molecular Weight289.30 g/mol
Exact Mass289.14
IUPAC NameN-(oxan-4-ylmethyl)-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
SMILESFC(F)(F)CCc1ccnc(NCC2CCOCC2)n1
InChIInChI=1S/C13H18F3N3O/c14-13(15,16)5-1-11-2-6-17-12(19-11)18-9-10-3-7-20-8-4-10/h2,6,10H,1,3-5,7-9H2,(H,17,18,19)
InChIKeyGTIFPZQVFGYRMX-UHFFFAOYSA-N
XLogP2.81
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(Piperidin-4-yl)pyrimidine
CID 17894842
4-cyclopentyl-N-{[4-(dimethylamino)tetrahydro-2H-pyran-4-yl]methyl}pyrimidin-2-amine
CID 56861947
cis-N-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]cyclohexane-1,4-diamine
CID 56864169
N-(tetrahydrofuran-3-yl)-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
CID 56878990
Piperidin-4-yl-aminopyrimidine
CID 61728035
N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
CID 56862385
N-[(1-isobutyrylpiperidin-4-yl)methyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
CID 56862777
4-[4-(3,3,3-Trifluoropropyl)-2-pyrimidinyl]-1,8-dioxa-4,11-diazaspiro[5.6]dodecane dihydrochloride
CID 56863713
N-[(3-ethyl-4,5-dihydroisoxazol-5-yl)methyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
CID 56864271
1-{[4-(3,3,3-Trifluoropropyl)pyrimidin-2-YL]amino}propan-2-OL
CID 56866102
(3S*,4R*)-3-methoxy-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperidin-4-amine
CID 56869576
N-(2-piperazin-1-ylethyl)-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
CID 56871176

Frequently Asked Questions

What is the IUPAC name of N-(oxan-4-ylmethyl)-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine?
The IUPAC name of N-(oxan-4-ylmethyl)-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine (CID 56863545) is N-(oxan-4-ylmethyl)-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine.
What is the SMILES notation for N-(oxan-4-ylmethyl)-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine?
The canonical SMILES for N-(oxan-4-ylmethyl)-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine is FC(F)(F)CCc1ccnc(NCC2CCOCC2)n1.
What is the InChIKey of N-(oxan-4-ylmethyl)-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine?
The InChIKey is GTIFPZQVFGYRMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N3O/c14-13(15,16)5-1-11-2-6-17-12(19-11)18-9-10-3-7-20-8-4-10/h2,6,10H,1,3-5,7-9H2,(H,17,18,19).
What are the key properties of N-(oxan-4-ylmethyl)-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine?
N-(oxan-4-ylmethyl)-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine has a molecular weight of 289.30 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-4-ylmethyl)-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine is sourced from PubChem (CID 56863545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).