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

C24H25N5 — CID 70977627

IUPAC2-methyl-6-(3-methylphenyl)-N-[1-[3-(1-methylpyrazol-4-yl)phenyl]ethyl]pyrimidin-4-amine
SMILESCc1cccc(-c2cc(NC(C)c3cccc(-c4cnn(C)c4)c3)nc(C)n2)c1
InChIInChI=1S/C24H25N5/c1-16-7-5-10-21(11-16)23-13-24(28-18(3)27-23)26-17(2)19-8-6-9-20(12-19)22-14-25-29(4)15-22/h5-15,17H,1-4H3,(H,26,27,28)
InChIKeyANBSNADPUYXUOL-UHFFFAOYSA-N
MW383.50 g/mol
LogP5.33
Rot. Bonds5

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

2-methyl-6-(3-methylphenyl)-N-[1-[3-(1-methylpyrazol-4-yl)phenyl]ethyl]pyrimidin-4-amine (PubChem CID 70977627) has the molecular formula C24H25N5 and a molecular weight of 383.50 g/mol. Its IUPAC name is 2-methyl-6-(3-methylphenyl)-N-[1-[3-(1-methylpyrazol-4-yl)phenyl]ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-methyl-6-(3-methylphenyl)-N-[1-[3-(1-methylpyrazol-4-yl)phenyl]ethyl]pyrimidin-4-amine
PubChem CID70977627
Molecular FormulaC24H25N5
Molecular Weight383.50 g/mol
Exact Mass383.21
IUPAC Name2-methyl-6-(3-methylphenyl)-N-[1-[3-(1-methylpyrazol-4-yl)phenyl]ethyl]pyrimidin-4-amine
SMILESCc1cccc(-c2cc(NC(C)c3cccc(-c4cnn(C)c4)c3)nc(C)n2)c1
InChIInChI=1S/C24H25N5/c1-16-7-5-10-21(11-16)23-13-24(28-18(3)27-23)26-17(2)19-8-6-9-20(12-19)22-14-25-29(4)15-22/h5-15,17H,1-4H3,(H,26,27,28)
InChIKeyANBSNADPUYXUOL-UHFFFAOYSA-N
XLogP5.33
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.50
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(3-methylphenyl)-N-[1-[3-(1-methylpyrazol-4-yl)phenyl]ethyl]pyrimidin-4-amine?
The IUPAC name of 2-methyl-6-(3-methylphenyl)-N-[1-[3-(1-methylpyrazol-4-yl)phenyl]ethyl]pyrimidin-4-amine (CID 70977627) is 2-methyl-6-(3-methylphenyl)-N-[1-[3-(1-methylpyrazol-4-yl)phenyl]ethyl]pyrimidin-4-amine.
What is the SMILES notation for 2-methyl-6-(3-methylphenyl)-N-[1-[3-(1-methylpyrazol-4-yl)phenyl]ethyl]pyrimidin-4-amine?
The canonical SMILES for 2-methyl-6-(3-methylphenyl)-N-[1-[3-(1-methylpyrazol-4-yl)phenyl]ethyl]pyrimidin-4-amine is Cc1cccc(-c2cc(NC(C)c3cccc(-c4cnn(C)c4)c3)nc(C)n2)c1.
What is the InChIKey of 2-methyl-6-(3-methylphenyl)-N-[1-[3-(1-methylpyrazol-4-yl)phenyl]ethyl]pyrimidin-4-amine?
The InChIKey is ANBSNADPUYXUOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5/c1-16-7-5-10-21(11-16)23-13-24(28-18(3)27-23)26-17(2)19-8-6-9-20(12-19)22-14-25-29(4)15-22/h5-15,17H,1-4H3,(H,26,27,28).
What are the key properties of 2-methyl-6-(3-methylphenyl)-N-[1-[3-(1-methylpyrazol-4-yl)phenyl]ethyl]pyrimidin-4-amine?
2-methyl-6-(3-methylphenyl)-N-[1-[3-(1-methylpyrazol-4-yl)phenyl]ethyl]pyrimidin-4-amine has a molecular weight of 383.50 g/mol, XLogP of 5.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(3-methylphenyl)-N-[1-[3-(1-methylpyrazol-4-yl)phenyl]ethyl]pyrimidin-4-amine is sourced from PubChem (CID 70977627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).