2-(methoxymethyl)-4-methyl-6-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]pyrimidine

C16H20F3N5O — CID 133450745

IUPAC2-(methoxymethyl)-4-methyl-6-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]pyrimidine
SMILESCOCc1nc(C)cc(N2CCCC(n3ccc(C(F)(F)F)n3)C2)n1
InChIInChI=1S/C16H20F3N5O/c1-11-8-15(21-14(20-11)10-25-2)23-6-3-4-12(9-23)24-7-5-13(22-24)16(17,18)19/h5,7-8,12H,3-4,6,9-10H2,1-2H3
InChIKeyVJNAMFQJRLBYOC-UHFFFAOYSA-N
MW355.36 g/mol
LogP2.99
Rot. Bonds4

About 2-(methoxymethyl)-4-methyl-6-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]pyrimidine

2-(methoxymethyl)-4-methyl-6-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]pyrimidine (PubChem CID 133450745) has the molecular formula C16H20F3N5O and a molecular weight of 355.36 g/mol. Its IUPAC name is 2-(methoxymethyl)-4-methyl-6-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]pyrimidine.

Molecular Properties

Compound Name2-(methoxymethyl)-4-methyl-6-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]pyrimidine
PubChem CID133450745
Molecular FormulaC16H20F3N5O
Molecular Weight355.36 g/mol
Exact Mass355.16
IUPAC Name2-(methoxymethyl)-4-methyl-6-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]pyrimidine
SMILESCOCc1nc(C)cc(N2CCCC(n3ccc(C(F)(F)F)n3)C2)n1
InChIInChI=1S/C16H20F3N5O/c1-11-8-15(21-14(20-11)10-25-2)23-6-3-4-12(9-23)24-7-5-13(22-24)16(17,18)19/h5,7-8,12H,3-4,6,9-10H2,1-2H3
InChIKeyVJNAMFQJRLBYOC-UHFFFAOYSA-N
XLogP2.99
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.36
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(methoxymethyl)-4-methyl-6-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]pyrimidine 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

Rimtuzalcap
CID 132207249
4-N-methyl-2-N-[5-methyl-1-[1-(oxetan-3-yl)piperidin-4-yl]pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 69093113
2-N-[1-[(3R,4S)-3-fluoro-1-(oxetan-3-yl)piperidin-4-yl]-3-methylpyrazol-4-yl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 76328935
4-N-ethyl-2-N-[5-methyl-1-(3-morpholin-4-ylcyclobutyl)pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 140943422
4-[7-(Trifluoromethyl)pyrazolo[1,5-a]pyrimidin-5-yl]morpholine
CID 134852626
N,5-dimethyl-N-[2-(4-morpholinyl)propyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 56889058
2-(3,3-difluoropiperidin-1-yl)-4-(1-methyl-1H-1,2,4-triazol-5-yl)pyrimidine
CID 50977333
2-(1H-pyrazol-1-ylmethyl)-4-[4-(trifluoromethyl)pyrimidin-2-yl]-1,4-oxazepane
CID 72882586
4-[4-[(2-Ethylpyrazol-3-yl)methyl]piperazin-1-yl]-2-methylpyrimidine
CID 86791685
N-{1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl}-2-(1H-pyrazol-1-yl)propanamide
CID 91631450
2-(1H-pyrazol-1-yl)-1-(4-(6-(trifluoromethyl)pyrimidin-4-yl)piperazin-1-yl)ethanone
CID 91631511
5-chloro-6-[(3S)-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]pyrimidin-4-amine
CID 100651053

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-4-methyl-6-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]pyrimidine?
The IUPAC name of 2-(methoxymethyl)-4-methyl-6-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]pyrimidine (CID 133450745) is 2-(methoxymethyl)-4-methyl-6-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]pyrimidine.
What is the SMILES notation for 2-(methoxymethyl)-4-methyl-6-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]pyrimidine?
The canonical SMILES for 2-(methoxymethyl)-4-methyl-6-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]pyrimidine is COCc1nc(C)cc(N2CCCC(n3ccc(C(F)(F)F)n3)C2)n1.
What is the InChIKey of 2-(methoxymethyl)-4-methyl-6-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]pyrimidine?
The InChIKey is VJNAMFQJRLBYOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3N5O/c1-11-8-15(21-14(20-11)10-25-2)23-6-3-4-12(9-23)24-7-5-13(22-24)16(17,18)19/h5,7-8,12H,3-4,6,9-10H2,1-2H3.
What are the key properties of 2-(methoxymethyl)-4-methyl-6-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]pyrimidine?
2-(methoxymethyl)-4-methyl-6-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]pyrimidine has a molecular weight of 355.36 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-4-methyl-6-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]pyrimidine is sourced from PubChem (CID 133450745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).