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

C9H12ClF2N3O2 — CID 106178835

IUPAC3-[[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]amino]-2,2-difluoropropan-1-ol
SMILESCOCc1nc(Cl)cc(NCC(F)(F)CO)n1
InChIInChI=1S/C9H12ClF2N3O2/c1-17-3-8-14-6(10)2-7(15-8)13-4-9(11,12)5-16/h2,16H,3-5H2,1H3,(H,13,14,15)
InChIKeyFNQHOAAJUPHXRZ-UHFFFAOYSA-N
MW267.66 g/mol
LogP1.32
Rot. Bonds6

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

3-[[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]amino]-2,2-difluoropropan-1-ol (PubChem CID 106178835) has the molecular formula C9H12ClF2N3O2 and a molecular weight of 267.66 g/mol. Its IUPAC name is 3-[[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]amino]-2,2-difluoropropan-1-ol.

Molecular Properties

Compound Name3-[[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]amino]-2,2-difluoropropan-1-ol
PubChem CID106178835
Molecular FormulaC9H12ClF2N3O2
Molecular Weight267.66 g/mol
Exact Mass267.06
IUPAC Name3-[[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]amino]-2,2-difluoropropan-1-ol
SMILESCOCc1nc(Cl)cc(NCC(F)(F)CO)n1
InChIInChI=1S/C9H12ClF2N3O2/c1-17-3-8-14-6(10)2-7(15-8)13-4-9(11,12)5-16/h2,16H,3-5H2,1H3,(H,13,14,15)
InChIKeyFNQHOAAJUPHXRZ-UHFFFAOYSA-N
XLogP1.32
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.66
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]amino]-1,1,1-trifluoropropan-2-ol
CID 114093885
3-[[2-(ethoxymethyl)-6-(ethylamino)pyrimidin-4-yl]amino]-2,2-difluoropropan-1-ol
CID 106179290
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
5-[[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]amino]pentan-2-ol
CID 106137286
3-[[2-ethyl-6-(methylamino)pyrimidin-4-yl]amino]-2,2-difluoropropan-1-ol
CID 106179311
6-chloro-N-[2-(4-fluorophenyl)ethyl]-2-(methoxymethyl)pyrimidin-4-amine
CID 82463163
4-[[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]amino]-3,3-dimethylbutan-1-ol
CID 106149272
3-[(6-amino-2-ethylpyrimidin-4-yl)amino]-2,2-difluoropropan-1-ol
CID 104925423
6-chloro-N-(3-ethoxypropyl)-2-(methoxymethyl)pyrimidin-4-amine
CID 82463136
2-[2-[[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]amino]ethoxy]acetamide
CID 114162689
4-[[2-(methoxymethyl)-6-(methylamino)pyrimidin-4-yl]amino]-3,3-dimethylbutan-1-ol
CID 106149886

Frequently Asked Questions

What is the IUPAC name of 3-[[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]amino]-2,2-difluoropropan-1-ol?
The IUPAC name of 3-[[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]amino]-2,2-difluoropropan-1-ol (CID 106178835) is 3-[[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]amino]-2,2-difluoropropan-1-ol.
What is the SMILES notation for 3-[[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]amino]-2,2-difluoropropan-1-ol?
The canonical SMILES for 3-[[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]amino]-2,2-difluoropropan-1-ol is COCc1nc(Cl)cc(NCC(F)(F)CO)n1.
What is the InChIKey of 3-[[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]amino]-2,2-difluoropropan-1-ol?
The InChIKey is FNQHOAAJUPHXRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClF2N3O2/c1-17-3-8-14-6(10)2-7(15-8)13-4-9(11,12)5-16/h2,16H,3-5H2,1H3,(H,13,14,15).
What are the key properties of 3-[[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]amino]-2,2-difluoropropan-1-ol?
3-[[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]amino]-2,2-difluoropropan-1-ol has a molecular weight of 267.66 g/mol, XLogP of 1.32, 6 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]-2,2-difluoropropan-1-ol is sourced from PubChem (CID 106178835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).