6-(3-fluorophenyl)-2-methyl-N-[(1R)-1-[3-(1-methylpyrazol-4-yl)phenyl]ethyl]pyrimidin-4-amine

C23H22FN5 — CID 70976846

IUPAC6-(3-fluorophenyl)-2-methyl-N-[(1R)-1-[3-(1-methylpyrazol-4-yl)phenyl]ethyl]pyrimidin-4-amine
SMILESCc1nc(N[C@H](C)c2cccc(-c3cnn(C)c3)c2)cc(-c2cccc(F)c2)n1
InChIInChI=1S/C23H22FN5/c1-15(17-6-4-7-18(10-17)20-13-25-29(3)14-20)26-23-12-22(27-16(2)28-23)19-8-5-9-21(24)11-19/h4-15H,1-3H3,(H,26,27,28)/t15-/m1/s1
InChIKeyWXCXMCOVWHNLMD-OAHLLOKOSA-N
MW387.46 g/mol
LogP5.16
Rot. Bonds5

About 6-(3-fluorophenyl)-2-methyl-N-[(1R)-1-[3-(1-methylpyrazol-4-yl)phenyl]ethyl]pyrimidin-4-amine

6-(3-fluorophenyl)-2-methyl-N-[(1R)-1-[3-(1-methylpyrazol-4-yl)phenyl]ethyl]pyrimidin-4-amine (PubChem CID 70976846) has the molecular formula C23H22FN5 and a molecular weight of 387.46 g/mol. Its IUPAC name is 6-(3-fluorophenyl)-2-methyl-N-[(1R)-1-[3-(1-methylpyrazol-4-yl)phenyl]ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-(3-fluorophenyl)-2-methyl-N-[(1R)-1-[3-(1-methylpyrazol-4-yl)phenyl]ethyl]pyrimidin-4-amine
PubChem CID70976846
Molecular FormulaC23H22FN5
Molecular Weight387.46 g/mol
Exact Mass387.19
IUPAC Name6-(3-fluorophenyl)-2-methyl-N-[(1R)-1-[3-(1-methylpyrazol-4-yl)phenyl]ethyl]pyrimidin-4-amine
SMILESCc1nc(N[C@H](C)c2cccc(-c3cnn(C)c3)c2)cc(-c2cccc(F)c2)n1
InChIInChI=1S/C23H22FN5/c1-15(17-6-4-7-18(10-17)20-13-25-29(3)14-20)26-23-12-22(27-16(2)28-23)19-8-5-9-21(24)11-19/h4-15H,1-3H3,(H,26,27,28)/t15-/m1/s1
InChIKeyWXCXMCOVWHNLMD-OAHLLOKOSA-N
XLogP5.16
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.46
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(3-fluorophenyl)-2-methyl-N-[(1R)-1-[3-(1-methylpyrazol-4-yl)phenyl]ethyl]pyrimidin-4-amine?
The IUPAC name of 6-(3-fluorophenyl)-2-methyl-N-[(1R)-1-[3-(1-methylpyrazol-4-yl)phenyl]ethyl]pyrimidin-4-amine (CID 70976846) is 6-(3-fluorophenyl)-2-methyl-N-[(1R)-1-[3-(1-methylpyrazol-4-yl)phenyl]ethyl]pyrimidin-4-amine.
What is the SMILES notation for 6-(3-fluorophenyl)-2-methyl-N-[(1R)-1-[3-(1-methylpyrazol-4-yl)phenyl]ethyl]pyrimidin-4-amine?
The canonical SMILES for 6-(3-fluorophenyl)-2-methyl-N-[(1R)-1-[3-(1-methylpyrazol-4-yl)phenyl]ethyl]pyrimidin-4-amine is Cc1nc(N[C@H](C)c2cccc(-c3cnn(C)c3)c2)cc(-c2cccc(F)c2)n1.
What is the InChIKey of 6-(3-fluorophenyl)-2-methyl-N-[(1R)-1-[3-(1-methylpyrazol-4-yl)phenyl]ethyl]pyrimidin-4-amine?
The InChIKey is WXCXMCOVWHNLMD-OAHLLOKOSA-N. The full InChI is InChI=1S/C23H22FN5/c1-15(17-6-4-7-18(10-17)20-13-25-29(3)14-20)26-23-12-22(27-16(2)28-23)19-8-5-9-21(24)11-19/h4-15H,1-3H3,(H,26,27,28)/t15-/m1/s1.
What are the key properties of 6-(3-fluorophenyl)-2-methyl-N-[(1R)-1-[3-(1-methylpyrazol-4-yl)phenyl]ethyl]pyrimidin-4-amine?
6-(3-fluorophenyl)-2-methyl-N-[(1R)-1-[3-(1-methylpyrazol-4-yl)phenyl]ethyl]pyrimidin-4-amine has a molecular weight of 387.46 g/mol, XLogP of 5.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluorophenyl)-2-methyl-N-[(1R)-1-[3-(1-methylpyrazol-4-yl)phenyl]ethyl]pyrimidin-4-amine is sourced from PubChem (CID 70976846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).