4-N-(4-tert-butylphenyl)-2-ethyl-5-methylpyrimidine-4,6-diamine

C17H24N4 — CID 80976908

IUPAC4-N-(4-tert-butylphenyl)-2-ethyl-5-methylpyrimidine-4,6-diamine
SMILESCCc1nc(N)c(C)c(Nc2ccc(C(C)(C)C)cc2)n1
InChIInChI=1S/C17H24N4/c1-6-14-20-15(18)11(2)16(21-14)19-13-9-7-12(8-10-13)17(3,4)5/h7-10H,6H2,1-5H3,(H3,18,19,20,21)
InChIKeyOSYNBASJBXROIX-UHFFFAOYSA-N
MW284.41 g/mol
LogP3.97
Rot. Bonds3

About 4-N-(4-tert-butylphenyl)-2-ethyl-5-methylpyrimidine-4,6-diamine

4-N-(4-tert-butylphenyl)-2-ethyl-5-methylpyrimidine-4,6-diamine (PubChem CID 80976908) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is 4-N-(4-tert-butylphenyl)-2-ethyl-5-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(4-tert-butylphenyl)-2-ethyl-5-methylpyrimidine-4,6-diamine
PubChem CID80976908
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC Name4-N-(4-tert-butylphenyl)-2-ethyl-5-methylpyrimidine-4,6-diamine
SMILESCCc1nc(N)c(C)c(Nc2ccc(C(C)(C)C)cc2)n1
InChIInChI=1S/C17H24N4/c1-6-14-20-15(18)11(2)16(21-14)19-13-9-7-12(8-10-13)17(3,4)5/h7-10H,6H2,1-5H3,(H3,18,19,20,21)
InChIKeyOSYNBASJBXROIX-UHFFFAOYSA-N
XLogP3.97
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-5-methyl-4-N-(4-propan-2-ylphenyl)pyrimidine-4,6-diamine
CID 80976892
4-N-(3-chloro-4-methylphenyl)-2-ethyl-5-methylpyrimidine-4,6-diamine
CID 80976447
4-N-[3-(dimethylamino)-4-methylphenyl]-2-ethyl-5-methylpyrimidine-4,6-diamine
CID 115379692
2-ethyl-4-N-(3-fluorophenyl)-5-methylpyrimidine-4,6-diamine
CID 80976619
2-tert-butyl-5-methyl-4-N-(4-methylsulfanylphenyl)pyrimidine-4,6-diamine
CID 80976694
2-ethyl-5-methyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
CID 80981531
4-N-benzyl-2-ethyl-5-methylpyrimidine-4,6-diamine
CID 80980993
2-ethyl-5-methyl-4-N-(4-methylphenyl)-6-N-propylpyrimidine-4,6-diamine
CID 80980584
4-N-(4-tert-butylphenyl)-5-ethylpyrimidine-4,6-diamine
CID 80762731
4-N-(4-bromo-2-chlorophenyl)-2-ethyl-5-methylpyrimidine-4,6-diamine
CID 80994019
6-chloro-2-ethyl-5-methyl-N-(4-methylphenyl)pyrimidin-4-amine
CID 80970680
4-N-(3,3-dimethylbutan-2-yl)-2-ethyl-5-methylpyrimidine-4,6-diamine
CID 104830579

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-tert-butylphenyl)-2-ethyl-5-methylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(4-tert-butylphenyl)-2-ethyl-5-methylpyrimidine-4,6-diamine (CID 80976908) is 4-N-(4-tert-butylphenyl)-2-ethyl-5-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(4-tert-butylphenyl)-2-ethyl-5-methylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(4-tert-butylphenyl)-2-ethyl-5-methylpyrimidine-4,6-diamine is CCc1nc(N)c(C)c(Nc2ccc(C(C)(C)C)cc2)n1.
What is the InChIKey of 4-N-(4-tert-butylphenyl)-2-ethyl-5-methylpyrimidine-4,6-diamine?
The InChIKey is OSYNBASJBXROIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-6-14-20-15(18)11(2)16(21-14)19-13-9-7-12(8-10-13)17(3,4)5/h7-10H,6H2,1-5H3,(H3,18,19,20,21).
What are the key properties of 4-N-(4-tert-butylphenyl)-2-ethyl-5-methylpyrimidine-4,6-diamine?
4-N-(4-tert-butylphenyl)-2-ethyl-5-methylpyrimidine-4,6-diamine has a molecular weight of 284.41 g/mol, XLogP of 3.97, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-tert-butylphenyl)-2-ethyl-5-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 80976908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).