3-[(6-amino-2-phenylpyrimidin-4-yl)amino]-2,2-difluoropropan-1-ol

C13H14F2N4O — CID 106179314

IUPAC3-[(6-amino-2-phenylpyrimidin-4-yl)amino]-2,2-difluoropropan-1-ol
SMILESNc1cc(NCC(F)(F)CO)nc(-c2ccccc2)n1
InChIInChI=1S/C13H14F2N4O/c14-13(15,8-20)7-17-11-6-10(16)18-12(19-11)9-4-2-1-3-5-9/h1-6,20H,7-8H2,(H3,16,17,18,19)
InChIKeyZKJHVBQIHLSFNO-UHFFFAOYSA-N
MW280.28 g/mol
LogP1.77
Rot. Bonds5

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

3-[(6-amino-2-phenylpyrimidin-4-yl)amino]-2,2-difluoropropan-1-ol (PubChem CID 106179314) has the molecular formula C13H14F2N4O and a molecular weight of 280.28 g/mol. Its IUPAC name is 3-[(6-amino-2-phenylpyrimidin-4-yl)amino]-2,2-difluoropropan-1-ol.

Molecular Properties

Compound Name3-[(6-amino-2-phenylpyrimidin-4-yl)amino]-2,2-difluoropropan-1-ol
PubChem CID106179314
Molecular FormulaC13H14F2N4O
Molecular Weight280.28 g/mol
Exact Mass280.11
IUPAC Name3-[(6-amino-2-phenylpyrimidin-4-yl)amino]-2,2-difluoropropan-1-ol
SMILESNc1cc(NCC(F)(F)CO)nc(-c2ccccc2)n1
InChIInChI=1S/C13H14F2N4O/c14-13(15,8-20)7-17-11-6-10(16)18-12(19-11)9-4-2-1-3-5-9/h1-6,20H,7-8H2,(H3,16,17,18,19)
InChIKeyZKJHVBQIHLSFNO-UHFFFAOYSA-N
XLogP1.77
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]-2,2-difluoropropan-1-ol
CID 106179444
4-N-ethyl-2-phenylpyrimidine-4,6-diamine
CID 112559773
3-[(6-amino-2-ethylpyrimidin-4-yl)amino]-2,2-difluoropropan-1-ol
CID 104925423
3-[(6-amino-2-pyridinyl)amino]-2,2-difluoropropan-1-ol
CID 106174489
2-[(6-amino-2-phenylpyrimidin-4-yl)amino]propane-1,3-diol
CID 112559838
4-N-(3-methylpentan-3-yl)-2-phenylpyrimidine-4,6-diamine
CID 106332100
3-[2-[(6-amino-2-phenylpyrimidin-4-yl)amino]ethylsulfanyl]propan-1-ol
CID 106311691
5-[(6-amino-2-phenylpyrimidin-4-yl)amino]-2-methylpentan-1-ol
CID 106163239
6-N-ethyl-2-phenyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
CID 115915258
2-[(6-amino-2-phenylpyrimidin-4-yl)amino]-2-methylpropanamide
CID 115915522
4-N-(furan-2-ylmethyl)-2-phenylpyrimidine-4,6-diamine
CID 115915230
N-(2,2-dimethylpropyl)-6-hydrazinyl-2-phenylpyrimidin-4-amine
CID 113353653

Frequently Asked Questions

What is the IUPAC name of 3-[(6-amino-2-phenylpyrimidin-4-yl)amino]-2,2-difluoropropan-1-ol?
The IUPAC name of 3-[(6-amino-2-phenylpyrimidin-4-yl)amino]-2,2-difluoropropan-1-ol (CID 106179314) is 3-[(6-amino-2-phenylpyrimidin-4-yl)amino]-2,2-difluoropropan-1-ol.
What is the SMILES notation for 3-[(6-amino-2-phenylpyrimidin-4-yl)amino]-2,2-difluoropropan-1-ol?
The canonical SMILES for 3-[(6-amino-2-phenylpyrimidin-4-yl)amino]-2,2-difluoropropan-1-ol is Nc1cc(NCC(F)(F)CO)nc(-c2ccccc2)n1.
What is the InChIKey of 3-[(6-amino-2-phenylpyrimidin-4-yl)amino]-2,2-difluoropropan-1-ol?
The InChIKey is ZKJHVBQIHLSFNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N4O/c14-13(15,8-20)7-17-11-6-10(16)18-12(19-11)9-4-2-1-3-5-9/h1-6,20H,7-8H2,(H3,16,17,18,19).
What are the key properties of 3-[(6-amino-2-phenylpyrimidin-4-yl)amino]-2,2-difluoropropan-1-ol?
3-[(6-amino-2-phenylpyrimidin-4-yl)amino]-2,2-difluoropropan-1-ol has a molecular weight of 280.28 g/mol, XLogP of 1.77, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-amino-2-phenylpyrimidin-4-yl)amino]-2,2-difluoropropan-1-ol is sourced from PubChem (CID 106179314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).