2,2-difluoro-3-[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]propan-1-ol

C9H14F2N4O — CID 106179435

IUPAC2,2-difluoro-3-[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]propan-1-ol
SMILESCNc1nc(C)cc(NCC(F)(F)CO)n1
InChIInChI=1S/C9H14F2N4O/c1-6-3-7(15-8(12-2)14-6)13-4-9(10,11)5-16/h3,16H,4-5H2,1-2H3,(H2,12,13,14,15)
InChIKeyNCXYMIGJHUNBOU-UHFFFAOYSA-N
MW232.23 g/mol
LogP0.87
Rot. Bonds5

About 2,2-difluoro-3-[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]propan-1-ol

2,2-difluoro-3-[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]propan-1-ol (PubChem CID 106179435) has the molecular formula C9H14F2N4O and a molecular weight of 232.23 g/mol. Its IUPAC name is 2,2-difluoro-3-[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]propan-1-ol.

Molecular Properties

Compound Name2,2-difluoro-3-[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]propan-1-ol
PubChem CID106179435
Molecular FormulaC9H14F2N4O
Molecular Weight232.23 g/mol
Exact Mass232.11
IUPAC Name2,2-difluoro-3-[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]propan-1-ol
SMILESCNc1nc(C)cc(NCC(F)(F)CO)n1
InChIInChI=1S/C9H14F2N4O/c1-6-3-7(15-8(12-2)14-6)13-4-9(10,11)5-16/h3,16H,4-5H2,1-2H3,(H2,12,13,14,15)
InChIKeyNCXYMIGJHUNBOU-UHFFFAOYSA-N
XLogP0.87
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.23
LogP ≤ 50.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(2,2-dimethylbutyl)-2-N,6-dimethylpyrimidine-2,4-diamine
CID 103466603
2,2-dimethyl-3-[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]propanamide
CID 106280469
3-[[2-amino-6-(methylamino)pyrimidin-4-yl]amino]-2,2-difluoropropan-1-ol
CID 106179284
3-[[2-ethyl-6-(methylamino)pyrimidin-4-yl]amino]-2,2-difluoropropan-1-ol
CID 106179311
2,2-difluoro-3-[[6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]amino]propan-1-ol
CID 106179429
6-[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]hexan-1-ol
CID 107855289
2-N,6-dimethyl-4-N-(2,3,3-trimethylbutyl)pyrimidine-2,4-diamine
CID 83147401
3-[(2,6-difluoropyrimidin-4-yl)amino]-2,2-difluoropropan-1-ol
CID 164647732
2-N,6-dimethyl-4-N-(2-methylsulfanylethyl)pyrimidine-2,4-diamine
CID 80839141
2-N,6-dimethyl-4-N-pentylpyrimidine-2,4-diamine
CID 80786153
2,2-difluoro-3-[(5-methylpyridazin-3-yl)amino]propan-1-ol
CID 106172005
4-N-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-N,6-dimethylpyrimidine-2,4-diamine
CID 80852205

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]propan-1-ol?
The IUPAC name of 2,2-difluoro-3-[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]propan-1-ol (CID 106179435) is 2,2-difluoro-3-[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]propan-1-ol.
What is the SMILES notation for 2,2-difluoro-3-[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]propan-1-ol?
The canonical SMILES for 2,2-difluoro-3-[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]propan-1-ol is CNc1nc(C)cc(NCC(F)(F)CO)n1.
What is the InChIKey of 2,2-difluoro-3-[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]propan-1-ol?
The InChIKey is NCXYMIGJHUNBOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F2N4O/c1-6-3-7(15-8(12-2)14-6)13-4-9(10,11)5-16/h3,16H,4-5H2,1-2H3,(H2,12,13,14,15).
What are the key properties of 2,2-difluoro-3-[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]propan-1-ol?
2,2-difluoro-3-[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]propan-1-ol has a molecular weight of 232.23 g/mol, XLogP of 0.87, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]propan-1-ol is sourced from PubChem (CID 106179435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).