5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-methylpyrazol-3-yl]-N-methyl-N-[(1-methylcyclopropyl)methyl]pyrimidin-4-amine

C21H23F2N5 — CID 144886537

IUPAC5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-methylpyrazol-3-yl]-N-methyl-N-[(1-methylcyclopropyl)methyl]pyrimidin-4-amine
SMILESCc1cc(-c2ncc(F)c(N(C)CC3(C)CC3)n2)nn1Cc1ccccc1F
InChIInChI=1S/C21H23F2N5/c1-14-10-18(26-28(14)12-15-6-4-5-7-16(15)22)19-24-11-17(23)20(25-19)27(3)13-21(2)8-9-21/h4-7,10-11H,8-9,12-13H2,1-3H3
InChIKeyBDHVXSDQNWBBNQ-UHFFFAOYSA-N
MW383.45 g/mol
LogP4.21
Rot. Bonds6

About 5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-methylpyrazol-3-yl]-N-methyl-N-[(1-methylcyclopropyl)methyl]pyrimidin-4-amine

5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-methylpyrazol-3-yl]-N-methyl-N-[(1-methylcyclopropyl)methyl]pyrimidin-4-amine (PubChem CID 144886537) has the molecular formula C21H23F2N5 and a molecular weight of 383.45 g/mol. Its IUPAC name is 5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-methylpyrazol-3-yl]-N-methyl-N-[(1-methylcyclopropyl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-methylpyrazol-3-yl]-N-methyl-N-[(1-methylcyclopropyl)methyl]pyrimidin-4-amine
PubChem CID144886537
Molecular FormulaC21H23F2N5
Molecular Weight383.45 g/mol
Exact Mass383.19
IUPAC Name5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-methylpyrazol-3-yl]-N-methyl-N-[(1-methylcyclopropyl)methyl]pyrimidin-4-amine
SMILESCc1cc(-c2ncc(F)c(N(C)CC3(C)CC3)n2)nn1Cc1ccccc1F
InChIInChI=1S/C21H23F2N5/c1-14-10-18(26-28(14)12-15-6-4-5-7-16(15)22)19-24-11-17(23)20(25-19)27(3)13-21(2)8-9-21/h4-7,10-11H,8-9,12-13H2,1-3H3
InChIKeyBDHVXSDQNWBBNQ-UHFFFAOYSA-N
XLogP4.21
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-[(Z)-1-(methylideneamino)-2-methylsulfanylethenyl]pyrazol-3-yl]pyrimidin-4-yl]-methylamino]methyl]cyclopropane-1-carboxylic acid
CID 155178316
2-[[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-methylpyrazol-3-yl]pyrimidin-4-yl]amino]propane-1,3-diol
CID 90446035
2-[[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-methylamino]acetic acid
CID 90446123
N-[1-[[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-methylamino]-3-methylbutan-2-yl]cyclopropanesulfonamide
CID 123277885
2-[3-(5-fluoro-4-methylpyrimidin-2-yl)-1-[(2-fluorophenyl)methyl]pyrazol-5-yl]-1,3-oxazole
CID 145046968
5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-N-(4-methyloxan-4-yl)pyrimidin-4-amine
CID 90446389
N-butyl-5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(2H-pyrrol-5-yl)pyrazol-3-yl]pyrimidin-4-amine
CID 145046937
3-[1-[(2-fluorophenyl)methyl]-3-(5-fluoro-4-pyrazol-1-ylpyrimidin-2-yl)pyrazol-5-yl]-1,2-oxazole
CID 90446402
2-[cyclopropylmethyl-[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]amino]acetic acid
CID 90445836
ethyl 2-[[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-(2-methylpropyl)amino]acetate
CID 90445837
2-[1-[(2-fluorophenyl)methyl]-5-(4-methylphenyl)pyrazol-3-yl]pyrimidine
CID 68642170
ethyl 1-[[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]oxymethyl]cyclopropane-1-carboxylate
CID 118965743

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-methylpyrazol-3-yl]-N-methyl-N-[(1-methylcyclopropyl)methyl]pyrimidin-4-amine?
The IUPAC name of 5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-methylpyrazol-3-yl]-N-methyl-N-[(1-methylcyclopropyl)methyl]pyrimidin-4-amine (CID 144886537) is 5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-methylpyrazol-3-yl]-N-methyl-N-[(1-methylcyclopropyl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-methylpyrazol-3-yl]-N-methyl-N-[(1-methylcyclopropyl)methyl]pyrimidin-4-amine?
The canonical SMILES for 5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-methylpyrazol-3-yl]-N-methyl-N-[(1-methylcyclopropyl)methyl]pyrimidin-4-amine is Cc1cc(-c2ncc(F)c(N(C)CC3(C)CC3)n2)nn1Cc1ccccc1F.
What is the InChIKey of 5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-methylpyrazol-3-yl]-N-methyl-N-[(1-methylcyclopropyl)methyl]pyrimidin-4-amine?
The InChIKey is BDHVXSDQNWBBNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F2N5/c1-14-10-18(26-28(14)12-15-6-4-5-7-16(15)22)19-24-11-17(23)20(25-19)27(3)13-21(2)8-9-21/h4-7,10-11H,8-9,12-13H2,1-3H3.
What are the key properties of 5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-methylpyrazol-3-yl]-N-methyl-N-[(1-methylcyclopropyl)methyl]pyrimidin-4-amine?
5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-methylpyrazol-3-yl]-N-methyl-N-[(1-methylcyclopropyl)methyl]pyrimidin-4-amine has a molecular weight of 383.45 g/mol, XLogP of 4.21, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-methylpyrazol-3-yl]-N-methyl-N-[(1-methylcyclopropyl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 144886537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).