2,2-difluoro-3-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]amino]propan-1-ol

C10H15F3N4O — CID 114154605

IUPAC2,2-difluoro-3-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]amino]propan-1-ol
SMILESCCCNc1ncc(F)c(NCC(F)(F)CO)n1
InChIInChI=1S/C10H15F3N4O/c1-2-3-14-9-15-4-7(11)8(17-9)16-5-10(12,13)6-18/h4,18H,2-3,5-6H2,1H3,(H2,14,15,16,17)
InChIKeyYIPZQUMQQXDQMZ-UHFFFAOYSA-N
MW264.25 g/mol
LogP1.48
Rot. Bonds7

About 2,2-difluoro-3-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]amino]propan-1-ol

2,2-difluoro-3-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]amino]propan-1-ol (PubChem CID 114154605) has the molecular formula C10H15F3N4O and a molecular weight of 264.25 g/mol. Its IUPAC name is 2,2-difluoro-3-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]amino]propan-1-ol.

Molecular Properties

Compound Name2,2-difluoro-3-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]amino]propan-1-ol
PubChem CID114154605
Molecular FormulaC10H15F3N4O
Molecular Weight264.25 g/mol
Exact Mass264.12
IUPAC Name2,2-difluoro-3-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]amino]propan-1-ol
SMILESCCCNc1ncc(F)c(NCC(F)(F)CO)n1
InChIInChI=1S/C10H15F3N4O/c1-2-3-14-9-15-4-7(11)8(17-9)16-5-10(12,13)6-18/h4,18H,2-3,5-6H2,1H3,(H2,14,15,16,17)
InChIKeyYIPZQUMQQXDQMZ-UHFFFAOYSA-N
XLogP1.48
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.25
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]amino]-2-methylbutan-2-ol
CID 80842696
3-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]amino]propan-1-ol
CID 80771875
5-fluoro-4-N-(2-methylbutan-2-yl)-2-N-propylpyrimidine-2,4-diamine
CID 80767954
3-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]-2,2-dimethylpropan-1-ol
CID 115366489
3-[[2-(ethylamino)-5-methylpyrimidin-4-yl]amino]-2,2-difluoropropan-1-ol
CID 106179400
4-N-(2-cyclopropylethyl)-5-fluoro-2-N-propylpyrimidine-2,4-diamine
CID 80847389
4-N-[2-(dimethylamino)propyl]-5-fluoro-2-N-propylpyrimidine-2,4-diamine
CID 80819161
3-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]amino]-N-propylpropanamide
CID 80818525
2-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]amino]-3-methylbutan-1-ol
CID 80849132
2-ethyl-2-[[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]methyl]butan-1-ol
CID 106258388
5-fluoro-4-N-(3-methoxypropyl)-2-N-propylpyrimidine-2,4-diamine
CID 80773233
4-N-[3-(dimethylamino)propyl]-5-fluoro-2-N-propylpyrimidine-2,4-diamine
CID 80777373

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]amino]propan-1-ol?
The IUPAC name of 2,2-difluoro-3-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]amino]propan-1-ol (CID 114154605) is 2,2-difluoro-3-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]amino]propan-1-ol.
What is the SMILES notation for 2,2-difluoro-3-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]amino]propan-1-ol?
The canonical SMILES for 2,2-difluoro-3-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]amino]propan-1-ol is CCCNc1ncc(F)c(NCC(F)(F)CO)n1.
What is the InChIKey of 2,2-difluoro-3-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]amino]propan-1-ol?
The InChIKey is YIPZQUMQQXDQMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N4O/c1-2-3-14-9-15-4-7(11)8(17-9)16-5-10(12,13)6-18/h4,18H,2-3,5-6H2,1H3,(H2,14,15,16,17).
What are the key properties of 2,2-difluoro-3-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]amino]propan-1-ol?
2,2-difluoro-3-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]amino]propan-1-ol has a molecular weight of 264.25 g/mol, XLogP of 1.48, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]amino]propan-1-ol is sourced from PubChem (CID 114154605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).