5-(2-methylphenyl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine

C17H16N4 — CID 3233769

IUPAC5-(2-methylphenyl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
SMILESCc1ccccc1-c1cncnc1NCc1cccnc1
InChIInChI=1S/C17H16N4/c1-13-5-2-3-7-15(13)16-11-19-12-21-17(16)20-10-14-6-4-8-18-9-14/h2-9,11-12H,10H2,1H3,(H,19,20,21)
InChIKeyDDDUYPSVSKJLCV-UHFFFAOYSA-N
MW276.34 g/mol
LogP3.46
Rot. Bonds4

About 5-(2-methylphenyl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine

5-(2-methylphenyl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine (PubChem CID 3233769) has the molecular formula C17H16N4 and a molecular weight of 276.34 g/mol. Its IUPAC name is 5-(2-methylphenyl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-(2-methylphenyl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
PubChem CID3233769
Molecular FormulaC17H16N4
Molecular Weight276.34 g/mol
Exact Mass276.14
IUPAC Name5-(2-methylphenyl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
SMILESCc1ccccc1-c1cncnc1NCc1cccnc1
InChIInChI=1S/C17H16N4/c1-13-5-2-3-7-15(13)16-11-19-12-21-17(16)20-10-14-6-4-8-18-9-14/h2-9,11-12H,10H2,1H3,(H,19,20,21)
InChIKeyDDDUYPSVSKJLCV-UHFFFAOYSA-N
XLogP3.46
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Dapivirine
CID 214347
Rilpivirine
CID 6451164
Mirtazapine
CID 4205
Azd-3839
CID 46202416
2-(Benzylamino)pyridine
CID 23362
Msx-122
CID 11687907
ML323
CID 60167849
WZ 811
CID 11565518
5-Phenyl-2,4-pyrimidinediamine
CID 134761
2-Pyridinamine, 4-methyl-N-(phenylmethyl)-
CID 83053
Fanotaprim
CID 134812633
Amprolium ion
CID 2178

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylphenyl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 5-(2-methylphenyl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine (CID 3233769) is 5-(2-methylphenyl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 5-(2-methylphenyl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 5-(2-methylphenyl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine is Cc1ccccc1-c1cncnc1NCc1cccnc1.
What is the InChIKey of 5-(2-methylphenyl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine?
The InChIKey is DDDUYPSVSKJLCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4/c1-13-5-2-3-7-15(13)16-11-19-12-21-17(16)20-10-14-6-4-8-18-9-14/h2-9,11-12H,10H2,1H3,(H,19,20,21).
What are the key properties of 5-(2-methylphenyl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine?
5-(2-methylphenyl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine has a molecular weight of 276.34 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylphenyl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 3233769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).