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

C16H17N5 — CID 133411690

IUPAC5-methyl-N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]pyrimidin-2-amine
SMILESCc1cnc(NCc2cccc(-c3cnn(C)c3)c2)nc1
InChIInChI=1S/C16H17N5/c1-12-7-17-16(18-8-12)19-9-13-4-3-5-14(6-13)15-10-20-21(2)11-15/h3-8,10-11H,9H2,1-2H3,(H,17,18,19)
InChIKeyHWCAZKXDUZOHOM-UHFFFAOYSA-N
MW279.35 g/mol
LogP2.80
Rot. Bonds4

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

5-methyl-N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]pyrimidin-2-amine (PubChem CID 133411690) has the molecular formula C16H17N5 and a molecular weight of 279.35 g/mol. Its IUPAC name is 5-methyl-N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-methyl-N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]pyrimidin-2-amine
PubChem CID133411690
Molecular FormulaC16H17N5
Molecular Weight279.35 g/mol
Exact Mass279.15
IUPAC Name5-methyl-N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]pyrimidin-2-amine
SMILESCc1cnc(NCc2cccc(-c3cnn(C)c3)c2)nc1
InChIInChI=1S/C16H17N5/c1-12-7-17-16(18-8-12)19-9-13-4-3-5-14(6-13)15-10-20-21(2)11-15/h3-8,10-11H,9H2,1-2H3,(H,17,18,19)
InChIKeyHWCAZKXDUZOHOM-UHFFFAOYSA-N
XLogP2.80
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-methyl-N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]pyrimidin-2-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]pyrimidin-2-amine?
The IUPAC name of 5-methyl-N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]pyrimidin-2-amine (CID 133411690) is 5-methyl-N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]pyrimidin-2-amine.
What is the SMILES notation for 5-methyl-N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]pyrimidin-2-amine?
The canonical SMILES for 5-methyl-N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]pyrimidin-2-amine is Cc1cnc(NCc2cccc(-c3cnn(C)c3)c2)nc1.
What is the InChIKey of 5-methyl-N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]pyrimidin-2-amine?
The InChIKey is HWCAZKXDUZOHOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5/c1-12-7-17-16(18-8-12)19-9-13-4-3-5-14(6-13)15-10-20-21(2)11-15/h3-8,10-11H,9H2,1-2H3,(H,17,18,19).
What are the key properties of 5-methyl-N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]pyrimidin-2-amine?
5-methyl-N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]pyrimidin-2-amine has a molecular weight of 279.35 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]pyrimidin-2-amine is sourced from PubChem (CID 133411690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).