2-N-tert-butyl-4-N-(2,3-dimethylphenyl)-5-methylpyrimidine-2,4-diamine;ethane

C19H30N4 — CID 143939192

IUPAC2-N-tert-butyl-4-N-(2,3-dimethylphenyl)-5-methylpyrimidine-2,4-diamine;ethane
SMILESCC.Cc1cnc(NC(C)(C)C)nc1Nc1cccc(C)c1C
InChIInChI=1S/C17H24N4.C2H6/c1-11-8-7-9-14(13(11)3)19-15-12(2)10-18-16(20-15)21-17(4,5)6;1-2/h7-10H,1-6H3,(H2,18,19,20,21);1-2H3
InChIKeyKIWMMJSTRKWFAC-UHFFFAOYSA-N
MW314.48 g/mol
LogP5.38
Rot. Bonds3

About 2-N-tert-butyl-4-N-(2,3-dimethylphenyl)-5-methylpyrimidine-2,4-diamine;ethane

2-N-tert-butyl-4-N-(2,3-dimethylphenyl)-5-methylpyrimidine-2,4-diamine;ethane (PubChem CID 143939192) has the molecular formula C19H30N4 and a molecular weight of 314.48 g/mol. Its IUPAC name is 2-N-tert-butyl-4-N-(2,3-dimethylphenyl)-5-methylpyrimidine-2,4-diamine;ethane.

Molecular Properties

Compound Name2-N-tert-butyl-4-N-(2,3-dimethylphenyl)-5-methylpyrimidine-2,4-diamine;ethane
PubChem CID143939192
Molecular FormulaC19H30N4
Molecular Weight314.48 g/mol
Exact Mass314.25
IUPAC Name2-N-tert-butyl-4-N-(2,3-dimethylphenyl)-5-methylpyrimidine-2,4-diamine;ethane
SMILESCC.Cc1cnc(NC(C)(C)C)nc1Nc1cccc(C)c1C
InChIInChI=1S/C17H24N4.C2H6/c1-11-8-7-9-14(13(11)3)19-15-12(2)10-18-16(20-15)21-17(4,5)6;1-2/h7-10H,1-6H3,(H2,18,19,20,21);1-2H3
InChIKeyKIWMMJSTRKWFAC-UHFFFAOYSA-N
XLogP5.38
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.48
LogP ≤ 55.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dimethylphenyl)-2,5-dimethylpyrimidin-4-amine
CID 58412586
5-methyl-2-N,4-N-bis(2-methylphenyl)pyrimidine-2,4-diamine
CID 22060421
4-N-(2,3-dimethylphenyl)-2-N-ethyl-5-fluoropyrimidine-2,4-diamine
CID 80762179
4-N-tert-butyl-6-N-(2,3-dimethylphenyl)-2-methylpyrimidine-4,6-diamine
CID 112875919
2-N-ethyl-5-methyl-4-N-naphthalen-1-ylpyrimidine-2,4-diamine
CID 66792053
2-N,4-N-bis(2-chlorophenyl)-5-methylpyrimidine-2,4-diamine
CID 5271601
4-N-(1,3-benzodioxol-5-yl)-2-N-tert-butyl-5-methylpyrimidine-2,4-diamine;3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]phenol
CID 158378899
5-methyl-2-N-(2,3,4,5-tetramethylphenyl)-4-N-(2,3,4-trimethylphenyl)pyrimidine-2,4-diamine
CID 89280057
4-N-(2-tert-butylphenyl)-2-N-ethyl-5-methylpyrimidine-2,4-diamine
CID 80822747
2-chloro-N-(3-chloro-2-methylphenyl)-5-methylpyrimidin-4-amine
CID 79075964
2-N,5-dimethyl-4-N-quinolin-5-ylpyrimidine-2,4-diamine
CID 80759868
4-N-(2-chlorophenyl)-2-N-ethyl-5-methylpyrimidine-2,4-diamine
CID 80760295

Frequently Asked Questions

What is the IUPAC name of 2-N-tert-butyl-4-N-(2,3-dimethylphenyl)-5-methylpyrimidine-2,4-diamine;ethane?
The IUPAC name of 2-N-tert-butyl-4-N-(2,3-dimethylphenyl)-5-methylpyrimidine-2,4-diamine;ethane (CID 143939192) is 2-N-tert-butyl-4-N-(2,3-dimethylphenyl)-5-methylpyrimidine-2,4-diamine;ethane.
What is the SMILES notation for 2-N-tert-butyl-4-N-(2,3-dimethylphenyl)-5-methylpyrimidine-2,4-diamine;ethane?
The canonical SMILES for 2-N-tert-butyl-4-N-(2,3-dimethylphenyl)-5-methylpyrimidine-2,4-diamine;ethane is CC.Cc1cnc(NC(C)(C)C)nc1Nc1cccc(C)c1C.
What is the InChIKey of 2-N-tert-butyl-4-N-(2,3-dimethylphenyl)-5-methylpyrimidine-2,4-diamine;ethane?
The InChIKey is KIWMMJSTRKWFAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4.C2H6/c1-11-8-7-9-14(13(11)3)19-15-12(2)10-18-16(20-15)21-17(4,5)6;1-2/h7-10H,1-6H3,(H2,18,19,20,21);1-2H3.
What are the key properties of 2-N-tert-butyl-4-N-(2,3-dimethylphenyl)-5-methylpyrimidine-2,4-diamine;ethane?
2-N-tert-butyl-4-N-(2,3-dimethylphenyl)-5-methylpyrimidine-2,4-diamine;ethane has a molecular weight of 314.48 g/mol, XLogP of 5.38, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-tert-butyl-4-N-(2,3-dimethylphenyl)-5-methylpyrimidine-2,4-diamine;ethane is sourced from PubChem (CID 143939192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).