3-[[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]amino]-1,1,1-trifluoropropan-2-ol

C9H11ClF3N3O2 — CID 114093885

IUPAC3-[[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]amino]-1,1,1-trifluoropropan-2-ol
SMILESCOCc1nc(Cl)cc(NCC(O)C(F)(F)F)n1
InChIInChI=1S/C9H11ClF3N3O2/c1-18-4-8-15-6(10)2-7(16-8)14-3-5(17)9(11,12)13/h2,5,17H,3-4H2,1H3,(H,14,15,16)
InChIKeyDGXATLSGRYSDMD-UHFFFAOYSA-N
MW285.65 g/mol
LogP1.61
Rot. Bonds5

About 3-[[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]amino]-1,1,1-trifluoropropan-2-ol

3-[[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]amino]-1,1,1-trifluoropropan-2-ol (PubChem CID 114093885) has the molecular formula C9H11ClF3N3O2 and a molecular weight of 285.65 g/mol. Its IUPAC name is 3-[[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]amino]-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name3-[[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]amino]-1,1,1-trifluoropropan-2-ol
PubChem CID114093885
Molecular FormulaC9H11ClF3N3O2
Molecular Weight285.65 g/mol
Exact Mass285.05
IUPAC Name3-[[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]amino]-1,1,1-trifluoropropan-2-ol
SMILESCOCc1nc(Cl)cc(NCC(O)C(F)(F)F)n1
InChIInChI=1S/C9H11ClF3N3O2/c1-18-4-8-15-6(10)2-7(16-8)14-3-5(17)9(11,12)13/h2,5,17H,3-4H2,1H3,(H,14,15,16)
InChIKeyDGXATLSGRYSDMD-UHFFFAOYSA-N
XLogP1.61
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.65
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]amino]-1,1,1-trifluoropropan-2-ol with MolForge

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Related Compounds

3-[[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]amino]-2,2-difluoropropan-1-ol
CID 106178835
5-[[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]amino]pentan-2-ol
CID 106137286
5-[[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]amino]-2-methylpentan-1-ol
CID 106162537
1-[[[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol
CID 113401015
6-chloro-N-[2-(4-fluorophenyl)ethyl]-2-(methoxymethyl)pyrimidin-4-amine
CID 82463163
6-chloro-N-(3-ethoxypropyl)-2-(methoxymethyl)pyrimidin-4-amine
CID 82463136
6-chloro-2-(methoxymethyl)-N-(4-methylhexan-2-yl)pyrimidin-4-amine
CID 113401019
1-[(6-chloro-2-ethylpyrimidin-4-yl)amino]-4,4-dimethylpentan-2-ol
CID 107154937
2-[2-[[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]amino]ethoxy]acetamide
CID 114162689
2-[[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]amino]-N-ethylethanesulfonamide
CID 106341586
6-chloro-2-(methoxymethyl)-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pyrimidin-4-amine
CID 114131055
6-chloro-2-(methoxymethyl)-N-[1-(1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine
CID 113401003

Frequently Asked Questions

What is the IUPAC name of 3-[[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]amino]-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 3-[[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]amino]-1,1,1-trifluoropropan-2-ol (CID 114093885) is 3-[[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]amino]-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 3-[[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]amino]-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 3-[[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]amino]-1,1,1-trifluoropropan-2-ol is COCc1nc(Cl)cc(NCC(O)C(F)(F)F)n1.
What is the InChIKey of 3-[[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]amino]-1,1,1-trifluoropropan-2-ol?
The InChIKey is DGXATLSGRYSDMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClF3N3O2/c1-18-4-8-15-6(10)2-7(16-8)14-3-5(17)9(11,12)13/h2,5,17H,3-4H2,1H3,(H,14,15,16).
What are the key properties of 3-[[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]amino]-1,1,1-trifluoropropan-2-ol?
3-[[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]amino]-1,1,1-trifluoropropan-2-ol has a molecular weight of 285.65 g/mol, XLogP of 1.61, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]amino]-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 114093885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).