2-tert-butyl-4-N-[2-(3-methylphenyl)ethyl]pyrimidine-4,6-diamine

C17H24N4 — CID 80958392

IUPAC2-tert-butyl-4-N-[2-(3-methylphenyl)ethyl]pyrimidine-4,6-diamine
SMILESCc1cccc(CCNc2cc(N)nc(C(C)(C)C)n2)c1
InChIInChI=1S/C17H24N4/c1-12-6-5-7-13(10-12)8-9-19-15-11-14(18)20-16(21-15)17(2,3)4/h5-7,10-11H,8-9H2,1-4H3,(H3,18,19,20,21)
InChIKeyCJJJXSYCLJTXPR-UHFFFAOYSA-N
MW284.41 g/mol
LogP3.32
Rot. Bonds4

About 2-tert-butyl-4-N-[2-(3-methylphenyl)ethyl]pyrimidine-4,6-diamine

2-tert-butyl-4-N-[2-(3-methylphenyl)ethyl]pyrimidine-4,6-diamine (PubChem CID 80958392) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is 2-tert-butyl-4-N-[2-(3-methylphenyl)ethyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-tert-butyl-4-N-[2-(3-methylphenyl)ethyl]pyrimidine-4,6-diamine
PubChem CID80958392
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC Name2-tert-butyl-4-N-[2-(3-methylphenyl)ethyl]pyrimidine-4,6-diamine
SMILESCc1cccc(CCNc2cc(N)nc(C(C)(C)C)n2)c1
InChIInChI=1S/C17H24N4/c1-12-6-5-7-13(10-12)8-9-19-15-11-14(18)20-16(21-15)17(2,3)4/h5-7,10-11H,8-9H2,1-4H3,(H3,18,19,20,21)
InChIKeyCJJJXSYCLJTXPR-UHFFFAOYSA-N
XLogP3.32
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-tert-butyl-6-chloro-N-[2-(3-methylphenyl)ethyl]pyrimidin-4-amine
CID 80945638
6-N-[2-(3-methylphenyl)ethyl]pyridine-2,6-diamine
CID 80647053
6-methyl-4-N-[2-(3-methylphenyl)ethyl]pyrimidine-2,4-diamine
CID 78989212
4-N-[2-(3-methoxyphenyl)ethyl]-2-methylpyrimidine-4,6-diamine
CID 107855538
5-N-[2-(3-methylphenyl)ethyl]pyridine-2,5-diamine
CID 62314086
2-tert-butyl-4-N-(3-ethylphenyl)pyrimidine-4,6-diamine
CID 80955477
6-N-methyl-2-N-[2-(3-methylphenyl)ethyl]pyrazine-2,6-diamine
CID 80826170
6-ethoxy-2-methyl-N-[2-(3-methylphenyl)ethyl]pyrimidin-4-amine
CID 66325892
N-[2-(3-methylphenyl)ethyl]pyridin-4-amine
CID 62315390
4,6-dimethyl-N-[2-(3-methylphenyl)ethyl]pyrimidin-2-amine
CID 62313023
2-[(6-amino-2-tert-butylpyrimidin-4-yl)amino]ethanesulfonamide
CID 80967068
4-N-[2-(4-fluorophenyl)ethyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106770416

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-N-[2-(3-methylphenyl)ethyl]pyrimidine-4,6-diamine?
The IUPAC name of 2-tert-butyl-4-N-[2-(3-methylphenyl)ethyl]pyrimidine-4,6-diamine (CID 80958392) is 2-tert-butyl-4-N-[2-(3-methylphenyl)ethyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 2-tert-butyl-4-N-[2-(3-methylphenyl)ethyl]pyrimidine-4,6-diamine?
The canonical SMILES for 2-tert-butyl-4-N-[2-(3-methylphenyl)ethyl]pyrimidine-4,6-diamine is Cc1cccc(CCNc2cc(N)nc(C(C)(C)C)n2)c1.
What is the InChIKey of 2-tert-butyl-4-N-[2-(3-methylphenyl)ethyl]pyrimidine-4,6-diamine?
The InChIKey is CJJJXSYCLJTXPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-12-6-5-7-13(10-12)8-9-19-15-11-14(18)20-16(21-15)17(2,3)4/h5-7,10-11H,8-9H2,1-4H3,(H3,18,19,20,21).
What are the key properties of 2-tert-butyl-4-N-[2-(3-methylphenyl)ethyl]pyrimidine-4,6-diamine?
2-tert-butyl-4-N-[2-(3-methylphenyl)ethyl]pyrimidine-4,6-diamine has a molecular weight of 284.41 g/mol, XLogP of 3.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-N-[2-(3-methylphenyl)ethyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 80958392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).