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

C10H16F2N4O — CID 106179368

IUPAC2,2-difluoro-3-[[6-(propylamino)pyrimidin-4-yl]amino]propan-1-ol
SMILESCCCNc1cc(NCC(F)(F)CO)ncn1
InChIInChI=1S/C10H16F2N4O/c1-2-3-13-8-4-9(16-7-15-8)14-5-10(11,12)6-17/h4,7,17H,2-3,5-6H2,1H3,(H2,13,14,15,16)
InChIKeyKQSGLUUNCZFPPV-UHFFFAOYSA-N
MW246.26 g/mol
LogP1.34
Rot. Bonds7

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

2,2-difluoro-3-[[6-(propylamino)pyrimidin-4-yl]amino]propan-1-ol (PubChem CID 106179368) has the molecular formula C10H16F2N4O and a molecular weight of 246.26 g/mol. Its IUPAC name is 2,2-difluoro-3-[[6-(propylamino)pyrimidin-4-yl]amino]propan-1-ol.

Molecular Properties

Compound Name2,2-difluoro-3-[[6-(propylamino)pyrimidin-4-yl]amino]propan-1-ol
PubChem CID106179368
Molecular FormulaC10H16F2N4O
Molecular Weight246.26 g/mol
Exact Mass246.13
IUPAC Name2,2-difluoro-3-[[6-(propylamino)pyrimidin-4-yl]amino]propan-1-ol
SMILESCCCNc1cc(NCC(F)(F)CO)ncn1
InChIInChI=1S/C10H16F2N4O/c1-2-3-13-8-4-9(16-7-15-8)14-5-10(11,12)6-17/h4,7,17H,2-3,5-6H2,1H3,(H2,13,14,15,16)
InChIKeyKQSGLUUNCZFPPV-UHFFFAOYSA-N
XLogP1.34
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2,2-difluoro-3-[[6-(propylamino)pyrimidin-4-yl]amino]propan-1-ol with MolForge

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Related Compounds

3-[[2-tert-butyl-6-(propylamino)pyrimidin-4-yl]amino]-2,2-difluoropropan-1-ol
CID 106179363
2,2-difluoro-3-[(6-hydrazinylpyrimidin-4-yl)amino]propan-1-ol
CID 106179583
4-N-[3-(dimethylamino)-2,2-dimethylpropyl]-6-N-propylpyrimidine-4,6-diamine
CID 80786245
2,2-difluoro-3-[(4-methyl-2-pyridinyl)amino]propan-1-ol
CID 104858561
2,2-difluoro-3-(pyrimidin-4-ylamino)propan-1-ol
CID 106171831
6-N-propyl-4-N-(2,4,6-trifluorophenyl)pyrimidine-4,6-diamine
CID 80855507
4-N-(2-methoxyethyl)-6-N-propylpyrimidine-4,6-diamine
CID 80765107
4-N-(4-methylpentan-2-yl)-6-N-propylpyrimidine-4,6-diamine
CID 80783948
3-methyl-4-[[6-(propylamino)pyrimidin-4-yl]amino]butan-1-ol
CID 80851233
3-[[2-ethyl-6-(methylamino)pyrimidin-4-yl]amino]-2,2-difluoropropan-1-ol
CID 106179311
[1-[[[6-(propylamino)pyrimidin-4-yl]amino]methyl]cyclopropyl]methanol
CID 115457224
4-N-prop-2-enyl-6-N-propylpyrimidine-4,6-diamine
CID 112854486

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-[[6-(propylamino)pyrimidin-4-yl]amino]propan-1-ol?
The IUPAC name of 2,2-difluoro-3-[[6-(propylamino)pyrimidin-4-yl]amino]propan-1-ol (CID 106179368) is 2,2-difluoro-3-[[6-(propylamino)pyrimidin-4-yl]amino]propan-1-ol.
What is the SMILES notation for 2,2-difluoro-3-[[6-(propylamino)pyrimidin-4-yl]amino]propan-1-ol?
The canonical SMILES for 2,2-difluoro-3-[[6-(propylamino)pyrimidin-4-yl]amino]propan-1-ol is CCCNc1cc(NCC(F)(F)CO)ncn1.
What is the InChIKey of 2,2-difluoro-3-[[6-(propylamino)pyrimidin-4-yl]amino]propan-1-ol?
The InChIKey is KQSGLUUNCZFPPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F2N4O/c1-2-3-13-8-4-9(16-7-15-8)14-5-10(11,12)6-17/h4,7,17H,2-3,5-6H2,1H3,(H2,13,14,15,16).
What are the key properties of 2,2-difluoro-3-[[6-(propylamino)pyrimidin-4-yl]amino]propan-1-ol?
2,2-difluoro-3-[[6-(propylamino)pyrimidin-4-yl]amino]propan-1-ol has a molecular weight of 246.26 g/mol, XLogP of 1.34, 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-[[6-(propylamino)pyrimidin-4-yl]amino]propan-1-ol is sourced from PubChem (CID 106179368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).