5-methyl-4-N-[2-(3-methylphenyl)ethyl]-2-propan-2-ylpyrimidine-4,6-diamine

C17H24N4 — CID 80985117

IUPAC5-methyl-4-N-[2-(3-methylphenyl)ethyl]-2-propan-2-ylpyrimidine-4,6-diamine
SMILESCc1cccc(CCNc2nc(C(C)C)nc(N)c2C)c1
InChIInChI=1S/C17H24N4/c1-11(2)16-20-15(18)13(4)17(21-16)19-9-8-14-7-5-6-12(3)10-14/h5-7,10-11H,8-9H2,1-4H3,(H3,18,19,20,21)
InChIKeyNVCZJNOGIRGPMR-UHFFFAOYSA-N
MW284.41 g/mol
LogP3.45
Rot. Bonds5

About 5-methyl-4-N-[2-(3-methylphenyl)ethyl]-2-propan-2-ylpyrimidine-4,6-diamine

5-methyl-4-N-[2-(3-methylphenyl)ethyl]-2-propan-2-ylpyrimidine-4,6-diamine (PubChem CID 80985117) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is 5-methyl-4-N-[2-(3-methylphenyl)ethyl]-2-propan-2-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name5-methyl-4-N-[2-(3-methylphenyl)ethyl]-2-propan-2-ylpyrimidine-4,6-diamine
PubChem CID80985117
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC Name5-methyl-4-N-[2-(3-methylphenyl)ethyl]-2-propan-2-ylpyrimidine-4,6-diamine
SMILESCc1cccc(CCNc2nc(C(C)C)nc(N)c2C)c1
InChIInChI=1S/C17H24N4/c1-11(2)16-20-15(18)13(4)17(21-16)19-9-8-14-7-5-6-12(3)10-14/h5-7,10-11H,8-9H2,1-4H3,(H3,18,19,20,21)
InChIKeyNVCZJNOGIRGPMR-UHFFFAOYSA-N
XLogP3.45
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-N,5-dimethyl-4-N-(2-phenylethyl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 80980846
6-chloro-2-N-[2-(3-methylphenyl)ethyl]pyridine-2,3-diamine
CID 115474071
5-methyl-4-N-[2-(3-methylphenyl)ethyl]pyrimidine-2,4-diamine
CID 80826733
4-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]butan-2-ol
CID 80991783
6-N-[2-(3-methylphenyl)ethyl]pyridine-2,6-diamine
CID 80647053
5-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]pentan-2-ol
CID 114148682
5-methyl-4-N-(2-phenylpropyl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 104592544
4-N-(2-ethoxyethyl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80994078
6-methyl-4-N-[2-(3-methylphenyl)ethyl]pyrimidine-2,4-diamine
CID 78989212
6-N-ethyl-5-methyl-4-N-[2-(3-methylphenyl)ethyl]pyrimidine-4,6-diamine
CID 80826850
4-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]butanamide
CID 80993947
4,6-dimethyl-N-[2-(3-methylphenyl)ethyl]pyrimidin-2-amine
CID 62313023

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-N-[2-(3-methylphenyl)ethyl]-2-propan-2-ylpyrimidine-4,6-diamine?
The IUPAC name of 5-methyl-4-N-[2-(3-methylphenyl)ethyl]-2-propan-2-ylpyrimidine-4,6-diamine (CID 80985117) is 5-methyl-4-N-[2-(3-methylphenyl)ethyl]-2-propan-2-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 5-methyl-4-N-[2-(3-methylphenyl)ethyl]-2-propan-2-ylpyrimidine-4,6-diamine?
The canonical SMILES for 5-methyl-4-N-[2-(3-methylphenyl)ethyl]-2-propan-2-ylpyrimidine-4,6-diamine is Cc1cccc(CCNc2nc(C(C)C)nc(N)c2C)c1.
What is the InChIKey of 5-methyl-4-N-[2-(3-methylphenyl)ethyl]-2-propan-2-ylpyrimidine-4,6-diamine?
The InChIKey is NVCZJNOGIRGPMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-11(2)16-20-15(18)13(4)17(21-16)19-9-8-14-7-5-6-12(3)10-14/h5-7,10-11H,8-9H2,1-4H3,(H3,18,19,20,21).
What are the key properties of 5-methyl-4-N-[2-(3-methylphenyl)ethyl]-2-propan-2-ylpyrimidine-4,6-diamine?
5-methyl-4-N-[2-(3-methylphenyl)ethyl]-2-propan-2-ylpyrimidine-4,6-diamine has a molecular weight of 284.41 g/mol, XLogP of 3.45, 5 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]-2-propan-2-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 80985117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).