1-(3,4-difluorophenyl)-2-[(6-ethyl-2-methylpyrimidin-4-yl)amino]propan-1-ol

C16H19F2N3O — CID 133461614

IUPAC1-(3,4-difluorophenyl)-2-[(6-ethyl-2-methylpyrimidin-4-yl)amino]propan-1-ol
SMILESCCc1cc(NC(C)C(O)c2ccc(F)c(F)c2)nc(C)n1
InChIInChI=1S/C16H19F2N3O/c1-4-12-8-15(21-10(3)20-12)19-9(2)16(22)11-5-6-13(17)14(18)7-11/h5-9,16,22H,4H2,1-3H3,(H,19,20,21)
InChIKeyCMZLVWOGUJJJHB-UHFFFAOYSA-N
MW307.34 g/mol
LogP3.16
Rot. Bonds5

About 1-(3,4-difluorophenyl)-2-[(6-ethyl-2-methylpyrimidin-4-yl)amino]propan-1-ol

1-(3,4-difluorophenyl)-2-[(6-ethyl-2-methylpyrimidin-4-yl)amino]propan-1-ol (PubChem CID 133461614) has the molecular formula C16H19F2N3O and a molecular weight of 307.34 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-2-[(6-ethyl-2-methylpyrimidin-4-yl)amino]propan-1-ol.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-2-[(6-ethyl-2-methylpyrimidin-4-yl)amino]propan-1-ol
PubChem CID133461614
Molecular FormulaC16H19F2N3O
Molecular Weight307.34 g/mol
Exact Mass307.15
IUPAC Name1-(3,4-difluorophenyl)-2-[(6-ethyl-2-methylpyrimidin-4-yl)amino]propan-1-ol
SMILESCCc1cc(NC(C)C(O)c2ccc(F)c(F)c2)nc(C)n1
InChIInChI=1S/C16H19F2N3O/c1-4-12-8-15(21-10(3)20-12)19-9(2)16(22)11-5-6-13(17)14(18)7-11/h5-9,16,22H,4H2,1-3H3,(H,19,20,21)
InChIKeyCMZLVWOGUJJJHB-UHFFFAOYSA-N
XLogP3.16
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.34
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,4-difluorophenyl)-2-(propylamino)propan-1-ol
CID 82316258
3-N-(6-ethyl-2-methylpyrimidin-4-yl)-4-methylpentane-1,3-diamine
CID 106357683
1-(3,4-difluorophenyl)-2-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]propan-1-ol
CID 110011198
(2S)-2-[(6-ethyl-2-methylpyrimidin-4-yl)amino]-2-phenylethanol
CID 133460882
N-[1-(3,4-difluorophenyl)-1-hydroxypropan-2-yl]-2-methylbutane-1-sulfonamide
CID 111753587
1-(3,4-difluorophenyl)-2-(ethylamino)-3-methylbutan-1-ol
CID 82316344
1-(3,4-difluorophenyl)-2-[(1,3-dimethylpyrazol-4-yl)methylamino]propan-1-ol
CID 109482192
6-ethyl-2-methyl-N-[1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]pyrimidin-4-amine
CID 133461751
3-N-(6-ethyl-2-methylpyrimidin-4-yl)-4,4-dimethylpentane-1,3-diamine
CID 106357883
(1,3-diethylpyrazol-5-yl)-(3,4-difluorophenyl)methanol
CID 105096371
1,2-difluoro-4-propan-2-ylbenzene;propane
CID 143774679
2-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]-1-(3,4-difluorophenyl)propan-1-ol
CID 111753643

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-2-[(6-ethyl-2-methylpyrimidin-4-yl)amino]propan-1-ol?
The IUPAC name of 1-(3,4-difluorophenyl)-2-[(6-ethyl-2-methylpyrimidin-4-yl)amino]propan-1-ol (CID 133461614) is 1-(3,4-difluorophenyl)-2-[(6-ethyl-2-methylpyrimidin-4-yl)amino]propan-1-ol.
What is the SMILES notation for 1-(3,4-difluorophenyl)-2-[(6-ethyl-2-methylpyrimidin-4-yl)amino]propan-1-ol?
The canonical SMILES for 1-(3,4-difluorophenyl)-2-[(6-ethyl-2-methylpyrimidin-4-yl)amino]propan-1-ol is CCc1cc(NC(C)C(O)c2ccc(F)c(F)c2)nc(C)n1.
What is the InChIKey of 1-(3,4-difluorophenyl)-2-[(6-ethyl-2-methylpyrimidin-4-yl)amino]propan-1-ol?
The InChIKey is CMZLVWOGUJJJHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F2N3O/c1-4-12-8-15(21-10(3)20-12)19-9(2)16(22)11-5-6-13(17)14(18)7-11/h5-9,16,22H,4H2,1-3H3,(H,19,20,21).
What are the key properties of 1-(3,4-difluorophenyl)-2-[(6-ethyl-2-methylpyrimidin-4-yl)amino]propan-1-ol?
1-(3,4-difluorophenyl)-2-[(6-ethyl-2-methylpyrimidin-4-yl)amino]propan-1-ol has a molecular weight of 307.34 g/mol, XLogP of 3.16, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-2-[(6-ethyl-2-methylpyrimidin-4-yl)amino]propan-1-ol is sourced from PubChem (CID 133461614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).