2-[2,2-difluoroethyl-[6-methyl-2-(propylamino)pyrimidin-4-yl]amino]ethanol

C12H20F2N4O — CID 107495085

IUPAC2-[2,2-difluoroethyl-[6-methyl-2-(propylamino)pyrimidin-4-yl]amino]ethanol
SMILESCCCNc1nc(C)cc(N(CCO)CC(F)F)n1
InChIInChI=1S/C12H20F2N4O/c1-3-4-15-12-16-9(2)7-11(17-12)18(5-6-19)8-10(13)14/h7,10,19H,3-6,8H2,1-2H3,(H,15,16,17)
InChIKeyBSDVJSIKGCIWOT-UHFFFAOYSA-N
MW274.31 g/mol
LogP1.67
Rot. Bonds8

About 2-[2,2-difluoroethyl-[6-methyl-2-(propylamino)pyrimidin-4-yl]amino]ethanol

2-[2,2-difluoroethyl-[6-methyl-2-(propylamino)pyrimidin-4-yl]amino]ethanol (PubChem CID 107495085) has the molecular formula C12H20F2N4O and a molecular weight of 274.31 g/mol. Its IUPAC name is 2-[2,2-difluoroethyl-[6-methyl-2-(propylamino)pyrimidin-4-yl]amino]ethanol.

Molecular Properties

Compound Name2-[2,2-difluoroethyl-[6-methyl-2-(propylamino)pyrimidin-4-yl]amino]ethanol
PubChem CID107495085
Molecular FormulaC12H20F2N4O
Molecular Weight274.31 g/mol
Exact Mass274.16
IUPAC Name2-[2,2-difluoroethyl-[6-methyl-2-(propylamino)pyrimidin-4-yl]amino]ethanol
SMILESCCCNc1nc(C)cc(N(CCO)CC(F)F)n1
InChIInChI=1S/C12H20F2N4O/c1-3-4-15-12-16-9(2)7-11(17-12)18(5-6-19)8-10(13)14/h7,10,19H,3-6,8H2,1-2H3,(H,15,16,17)
InChIKeyBSDVJSIKGCIWOT-UHFFFAOYSA-N
XLogP1.67
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.31
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[ethyl-[6-methyl-2-(propylamino)pyrimidin-4-yl]amino]ethanol
CID 80790816
2-[[6-methyl-2-(propylamino)pyrimidin-4-yl]-pentan-3-ylamino]ethanol
CID 80809962
2-[ethyl-[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethanol
CID 80791333
4-N-ethyl-6-methyl-4-N-(2-methylbutyl)-2-N-propylpyrimidine-2,4-diamine
CID 80849332
4-N-[2-(dimethylamino)ethyl]-6-methyl-2-N,4-N-dipropylpyrimidine-2,4-diamine
CID 80816858
2-[2,2-difluoroethyl-[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethanol
CID 107495156
4-N,6-dimethyl-4-N-(3-methylbutyl)-2-N-propylpyrimidine-2,4-diamine
CID 80796012
4-N,6-dimethyl-4-N-(3-methylbutan-2-yl)-2-N-propylpyrimidine-2,4-diamine
CID 80793518
2-[[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]-(2,2-difluoroethyl)amino]ethanol
CID 107495067
4-N,6-dimethyl-4-N-[(4-methylphenyl)methyl]-2-N-propylpyrimidine-2,4-diamine
CID 80751646
2-[(2-hydrazinyl-6-methylpyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol
CID 107495437
4-N-cyclopentyl-6-methyl-4-N-(2-methylpropyl)-2-N-propylpyrimidine-2,4-diamine
CID 80838599

Frequently Asked Questions

What is the IUPAC name of 2-[2,2-difluoroethyl-[6-methyl-2-(propylamino)pyrimidin-4-yl]amino]ethanol?
The IUPAC name of 2-[2,2-difluoroethyl-[6-methyl-2-(propylamino)pyrimidin-4-yl]amino]ethanol (CID 107495085) is 2-[2,2-difluoroethyl-[6-methyl-2-(propylamino)pyrimidin-4-yl]amino]ethanol.
What is the SMILES notation for 2-[2,2-difluoroethyl-[6-methyl-2-(propylamino)pyrimidin-4-yl]amino]ethanol?
The canonical SMILES for 2-[2,2-difluoroethyl-[6-methyl-2-(propylamino)pyrimidin-4-yl]amino]ethanol is CCCNc1nc(C)cc(N(CCO)CC(F)F)n1.
What is the InChIKey of 2-[2,2-difluoroethyl-[6-methyl-2-(propylamino)pyrimidin-4-yl]amino]ethanol?
The InChIKey is BSDVJSIKGCIWOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F2N4O/c1-3-4-15-12-16-9(2)7-11(17-12)18(5-6-19)8-10(13)14/h7,10,19H,3-6,8H2,1-2H3,(H,15,16,17).
What are the key properties of 2-[2,2-difluoroethyl-[6-methyl-2-(propylamino)pyrimidin-4-yl]amino]ethanol?
2-[2,2-difluoroethyl-[6-methyl-2-(propylamino)pyrimidin-4-yl]amino]ethanol has a molecular weight of 274.31 g/mol, XLogP of 1.67, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2-difluoroethyl-[6-methyl-2-(propylamino)pyrimidin-4-yl]amino]ethanol is sourced from PubChem (CID 107495085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).