[1-[[methyl-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]amino]methyl]cyclopropyl]methanol

C13H18F3N3O — CID 56917961

IUPAC[1-[[methyl-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]amino]methyl]cyclopropyl]methanol
SMILESCN(CC1(CO)CC1)c1nccc(CCC(F)(F)F)n1
InChIInChI=1S/C13H18F3N3O/c1-19(8-12(9-20)5-6-12)11-17-7-3-10(18-11)2-4-13(14,15)16/h3,7,20H,2,4-6,8-9H2,1H3
InChIKeyRYIWIFPIQXEPRF-UHFFFAOYSA-N
MW289.30 g/mol
LogP2.18
Rot. Bonds6

About [1-[[methyl-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]amino]methyl]cyclopropyl]methanol

[1-[[methyl-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]amino]methyl]cyclopropyl]methanol (PubChem CID 56917961) has the molecular formula C13H18F3N3O and a molecular weight of 289.30 g/mol. Its IUPAC name is [1-[[methyl-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]amino]methyl]cyclopropyl]methanol.

Molecular Properties

Compound Name[1-[[methyl-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]amino]methyl]cyclopropyl]methanol
PubChem CID56917961
Molecular FormulaC13H18F3N3O
Molecular Weight289.30 g/mol
Exact Mass289.14
IUPAC Name[1-[[methyl-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]amino]methyl]cyclopropyl]methanol
SMILESCN(CC1(CO)CC1)c1nccc(CCC(F)(F)F)n1
InChIInChI=1S/C13H18F3N3O/c1-19(8-12(9-20)5-6-12)11-17-7-3-10(18-11)2-4-13(14,15)16/h3,7,20H,2,4-6,8-9H2,1H3
InChIKeyRYIWIFPIQXEPRF-UHFFFAOYSA-N
XLogP2.18
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [1-[[methyl-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]amino]methyl]cyclopropyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(Pyrimidin-4-yl)propan-1-ol
CID 15185549
2-(Pyrimidin-4-yl)ethanol
CID 15475344
2-(2-Methoxypyrimidin-4-yl)ethan-1-ol
CID 53484638
[4-(1,1-Difluoroethyl)pyrimidin-2-yl]methanol
CID 155943805
(2S)-1,1,1-trifluoro-3-pyrimidin-4-ylpropan-2-ol
CID 102146121
(1-{[(4-Cyclopentylpyrimidin-2-YL)(methyl)amino]methyl}cyclobutyl)methanol
CID 56861289
1-(2-{[4-(3,3,3-Trifluoropropyl)pyrimidin-2-YL]amino}ethyl)piperidin-4-OL
CID 56861481
2-{1-Methyl-4-[4-(3,3,3-trifluoropropyl)pyrimidin-2-YL]piperazin-2-YL}ethanol
CID 56865786
1-{[4-(3,3,3-Trifluoropropyl)pyrimidin-2-YL]amino}propan-2-OL
CID 56866102
(3S*,4S*)-4-isopropoxy-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]pyrrolidin-3-ol
CID 56868405
{3-Ethyl-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-YL]piperidin-3-YL}methanol
CID 56871761
N-methyl-N-(tetrahydro-2H-pyran-2-ylmethyl)-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
CID 56873098

Frequently Asked Questions

What is the IUPAC name of [1-[[methyl-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]amino]methyl]cyclopropyl]methanol?
The IUPAC name of [1-[[methyl-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]amino]methyl]cyclopropyl]methanol (CID 56917961) is [1-[[methyl-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]amino]methyl]cyclopropyl]methanol.
What is the SMILES notation for [1-[[methyl-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]amino]methyl]cyclopropyl]methanol?
The canonical SMILES for [1-[[methyl-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]amino]methyl]cyclopropyl]methanol is CN(CC1(CO)CC1)c1nccc(CCC(F)(F)F)n1.
What is the InChIKey of [1-[[methyl-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]amino]methyl]cyclopropyl]methanol?
The InChIKey is RYIWIFPIQXEPRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N3O/c1-19(8-12(9-20)5-6-12)11-17-7-3-10(18-11)2-4-13(14,15)16/h3,7,20H,2,4-6,8-9H2,1H3.
What are the key properties of [1-[[methyl-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]amino]methyl]cyclopropyl]methanol?
[1-[[methyl-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]amino]methyl]cyclopropyl]methanol has a molecular weight of 289.30 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[methyl-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]amino]methyl]cyclopropyl]methanol is sourced from PubChem (CID 56917961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).