5-methyl-4-N-[2-(3-methylphenyl)ethyl]pyrimidine-2,4-diamine

C14H18N4 — CID 80826733

IUPAC5-methyl-4-N-[2-(3-methylphenyl)ethyl]pyrimidine-2,4-diamine
SMILESCc1cccc(CCNc2nc(N)ncc2C)c1
InChIInChI=1S/C14H18N4/c1-10-4-3-5-12(8-10)6-7-16-13-11(2)9-17-14(15)18-13/h3-5,8-9H,6-7H2,1-2H3,(H3,15,16,17,18)
InChIKeyHWUSDESFEQBCCC-UHFFFAOYSA-N
MW242.33 g/mol
LogP2.33
Rot. Bonds4

About 5-methyl-4-N-[2-(3-methylphenyl)ethyl]pyrimidine-2,4-diamine

5-methyl-4-N-[2-(3-methylphenyl)ethyl]pyrimidine-2,4-diamine (PubChem CID 80826733) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is 5-methyl-4-N-[2-(3-methylphenyl)ethyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-methyl-4-N-[2-(3-methylphenyl)ethyl]pyrimidine-2,4-diamine
PubChem CID80826733
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC Name5-methyl-4-N-[2-(3-methylphenyl)ethyl]pyrimidine-2,4-diamine
SMILESCc1cccc(CCNc2nc(N)ncc2C)c1
InChIInChI=1S/C14H18N4/c1-10-4-3-5-12(8-10)6-7-16-13-11(2)9-17-14(15)18-13/h3-5,8-9H,6-7H2,1-2H3,(H3,15,16,17,18)
InChIKeyHWUSDESFEQBCCC-UHFFFAOYSA-N
XLogP2.33
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-5-methylpyrimidine-2,4-diamine
CID 80771958
5-N-[2-(3-methylphenyl)ethyl]pyridine-2,5-diamine
CID 62314086
2,5-dichloro-N-[2-(3-methylphenyl)ethyl]pyrimidin-4-amine
CID 79631877
6-chloro-2-N-[2-(3-methylphenyl)ethyl]pyridine-2,3-diamine
CID 115474071
5-chloro-4-N-[(3-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 80790786
5-bromo-2-hydrazinyl-N-[2-(3-methylphenyl)ethyl]pyrimidin-4-amine
CID 80908067
6-methyl-4-N-[2-(3-methylphenyl)ethyl]pyrimidine-2,4-diamine
CID 78989212
6-N-[2-(3-methylphenyl)ethyl]pyridine-2,6-diamine
CID 80647053
3-amino-2-[2-(3-methylphenyl)ethylamino]pyridine-4-carbonitrile
CID 82816750
5-methyl-4-N-[2-(3-methylphenyl)ethyl]-2-propan-2-ylpyrimidine-4,6-diamine
CID 80985117
6-N-ethyl-5-methyl-4-N-[2-(3-methylphenyl)ethyl]pyrimidine-4,6-diamine
CID 80826850
2-hydrazinyl-5-methyl-N-(2-phenylethyl)pyrimidin-4-amine
CID 80944185

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-N-[2-(3-methylphenyl)ethyl]pyrimidine-2,4-diamine?
The IUPAC name of 5-methyl-4-N-[2-(3-methylphenyl)ethyl]pyrimidine-2,4-diamine (CID 80826733) is 5-methyl-4-N-[2-(3-methylphenyl)ethyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-methyl-4-N-[2-(3-methylphenyl)ethyl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-methyl-4-N-[2-(3-methylphenyl)ethyl]pyrimidine-2,4-diamine is Cc1cccc(CCNc2nc(N)ncc2C)c1.
What is the InChIKey of 5-methyl-4-N-[2-(3-methylphenyl)ethyl]pyrimidine-2,4-diamine?
The InChIKey is HWUSDESFEQBCCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4/c1-10-4-3-5-12(8-10)6-7-16-13-11(2)9-17-14(15)18-13/h3-5,8-9H,6-7H2,1-2H3,(H3,15,16,17,18).
What are the key properties of 5-methyl-4-N-[2-(3-methylphenyl)ethyl]pyrimidine-2,4-diamine?
5-methyl-4-N-[2-(3-methylphenyl)ethyl]pyrimidine-2,4-diamine has a molecular weight of 242.33 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-N-[2-(3-methylphenyl)ethyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 80826733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).