1-[2-fluoro-4-[5-methyl-2-[methyl(1H-pyrazol-4-yl)amino]pyrimidin-4-yl]phenoxy]propan-2-ol

C18H20FN5O2 — CID 123306972

IUPAC1-[2-fluoro-4-[5-methyl-2-[methyl(1H-pyrazol-4-yl)amino]pyrimidin-4-yl]phenoxy]propan-2-ol
SMILESCc1cnc(N(C)c2cn[nH]c2)nc1-c1ccc(OCC(C)O)c(F)c1
InChIInChI=1S/C18H20FN5O2/c1-11-7-20-18(24(3)14-8-21-22-9-14)23-17(11)13-4-5-16(15(19)6-13)26-10-12(2)25/h4-9,12,25H,10H2,1-3H3,(H,21,22)
InChIKeyUCDUNOJZNNIJDY-UHFFFAOYSA-N
MW357.39 g/mol
LogP2.84
Rot. Bonds6

About 1-[2-fluoro-4-[5-methyl-2-[methyl(1H-pyrazol-4-yl)amino]pyrimidin-4-yl]phenoxy]propan-2-ol

1-[2-fluoro-4-[5-methyl-2-[methyl(1H-pyrazol-4-yl)amino]pyrimidin-4-yl]phenoxy]propan-2-ol (PubChem CID 123306972) has the molecular formula C18H20FN5O2 and a molecular weight of 357.39 g/mol. Its IUPAC name is 1-[2-fluoro-4-[5-methyl-2-[methyl(1H-pyrazol-4-yl)amino]pyrimidin-4-yl]phenoxy]propan-2-ol.

Molecular Properties

Compound Name1-[2-fluoro-4-[5-methyl-2-[methyl(1H-pyrazol-4-yl)amino]pyrimidin-4-yl]phenoxy]propan-2-ol
PubChem CID123306972
Molecular FormulaC18H20FN5O2
Molecular Weight357.39 g/mol
Exact Mass357.16
IUPAC Name1-[2-fluoro-4-[5-methyl-2-[methyl(1H-pyrazol-4-yl)amino]pyrimidin-4-yl]phenoxy]propan-2-ol
SMILESCc1cnc(N(C)c2cn[nH]c2)nc1-c1ccc(OCC(C)O)c(F)c1
InChIInChI=1S/C18H20FN5O2/c1-11-7-20-18(24(3)14-8-21-22-9-14)23-17(11)13-4-5-16(15(19)6-13)26-10-12(2)25/h4-9,12,25H,10H2,1-3H3,(H,21,22)
InChIKeyUCDUNOJZNNIJDY-UHFFFAOYSA-N
XLogP2.84
TPSA87.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.39
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[2-fluoro-4-[5-methyl-2-[methyl(1H-pyrazol-4-yl)amino]pyrimidin-4-yl]phenoxy]propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-1-[2-fluoro-4-[5-methyl-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenoxy]propan-2-ol
CID 69092707
4-(3-fluoro-4-propan-2-yloxyphenyl)-5-methyl-N-(1H-pyrazol-4-yl)pyrimidin-2-amine
CID 141335906
4-[3-fluoro-4-(2-methylpropoxy)phenyl]-5-methyl-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine
CID 69092156
2-fluoro-4-[5-methyl-2-(1H-pyrazol-4-ylamino)pyrimidin-4-yl]phenol
CID 141335854
N'-[4-(4-fluorophenyl)-5-methylpyrimidin-2-yl]-N'-methylethane-1,2-diamine
CID 103279381
2-fluoro-4-[4-(4-methylphenyl)phenyl]-1-(2-methylpropoxy)benzene
CID 144809365
2-fluoro-4-[2,2,2-trifluoro-1-[3-fluoro-4-(2-hydroxypropoxy)phenyl]ethyl]phenol
CID 174256185
N-[2-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-4-(2-hydroxypropoxy)-3-methoxybenzamide
CID 131981947
ethyl 2-[[4-(3-fluoro-4-methoxyphenyl)-5-methylpyrimidin-2-yl]amino]-1,3-thiazole-4-carboxylate
CID 1473051
4-[4-(2,4-dimethylpentoxy)-3-fluorophenyl]-1H-pyrazolo[3,4-b]pyridine;methanamine
CID 145286303
1-(5-chloro-2-methylphenoxy)propan-2-ol
CID 21423645
4-[4-(2,4-dimethylpentoxy)-3-fluorophenyl]-2-fluoropyridine
CID 163987326

Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-4-[5-methyl-2-[methyl(1H-pyrazol-4-yl)amino]pyrimidin-4-yl]phenoxy]propan-2-ol?
The IUPAC name of 1-[2-fluoro-4-[5-methyl-2-[methyl(1H-pyrazol-4-yl)amino]pyrimidin-4-yl]phenoxy]propan-2-ol (CID 123306972) is 1-[2-fluoro-4-[5-methyl-2-[methyl(1H-pyrazol-4-yl)amino]pyrimidin-4-yl]phenoxy]propan-2-ol.
What is the SMILES notation for 1-[2-fluoro-4-[5-methyl-2-[methyl(1H-pyrazol-4-yl)amino]pyrimidin-4-yl]phenoxy]propan-2-ol?
The canonical SMILES for 1-[2-fluoro-4-[5-methyl-2-[methyl(1H-pyrazol-4-yl)amino]pyrimidin-4-yl]phenoxy]propan-2-ol is Cc1cnc(N(C)c2cn[nH]c2)nc1-c1ccc(OCC(C)O)c(F)c1.
What is the InChIKey of 1-[2-fluoro-4-[5-methyl-2-[methyl(1H-pyrazol-4-yl)amino]pyrimidin-4-yl]phenoxy]propan-2-ol?
The InChIKey is UCDUNOJZNNIJDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN5O2/c1-11-7-20-18(24(3)14-8-21-22-9-14)23-17(11)13-4-5-16(15(19)6-13)26-10-12(2)25/h4-9,12,25H,10H2,1-3H3,(H,21,22).
What are the key properties of 1-[2-fluoro-4-[5-methyl-2-[methyl(1H-pyrazol-4-yl)amino]pyrimidin-4-yl]phenoxy]propan-2-ol?
1-[2-fluoro-4-[5-methyl-2-[methyl(1H-pyrazol-4-yl)amino]pyrimidin-4-yl]phenoxy]propan-2-ol has a molecular weight of 357.39 g/mol, XLogP of 2.84, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-4-[5-methyl-2-[methyl(1H-pyrazol-4-yl)amino]pyrimidin-4-yl]phenoxy]propan-2-ol is sourced from PubChem (CID 123306972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).