4-N-(3,5-dimethylphenyl)-4-N,6-N-dimethyl-2-propan-2-ylpyrimidine-4,6-diamine

C17H24N4 — CID 80967150

IUPAC4-N-(3,5-dimethylphenyl)-4-N,6-N-dimethyl-2-propan-2-ylpyrimidine-4,6-diamine
SMILESCNc1cc(N(C)c2cc(C)cc(C)c2)nc(C(C)C)n1
InChIInChI=1S/C17H24N4/c1-11(2)17-19-15(18-5)10-16(20-17)21(6)14-8-12(3)7-13(4)9-14/h7-11H,1-6H3,(H,18,19,20)
InChIKeyJLYUAYGGNRCXBG-UHFFFAOYSA-N
MW284.41 g/mol
LogP4.03
Rot. Bonds4

About 4-N-(3,5-dimethylphenyl)-4-N,6-N-dimethyl-2-propan-2-ylpyrimidine-4,6-diamine

4-N-(3,5-dimethylphenyl)-4-N,6-N-dimethyl-2-propan-2-ylpyrimidine-4,6-diamine (PubChem CID 80967150) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is 4-N-(3,5-dimethylphenyl)-4-N,6-N-dimethyl-2-propan-2-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(3,5-dimethylphenyl)-4-N,6-N-dimethyl-2-propan-2-ylpyrimidine-4,6-diamine
PubChem CID80967150
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC Name4-N-(3,5-dimethylphenyl)-4-N,6-N-dimethyl-2-propan-2-ylpyrimidine-4,6-diamine
SMILESCNc1cc(N(C)c2cc(C)cc(C)c2)nc(C(C)C)n1
InChIInChI=1S/C17H24N4/c1-11(2)17-19-15(18-5)10-16(20-17)21(6)14-8-12(3)7-13(4)9-14/h7-11H,1-6H3,(H,18,19,20)
InChIKeyJLYUAYGGNRCXBG-UHFFFAOYSA-N
XLogP4.03
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(4-fluorophenyl)-4-N,6-N-dimethyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80958179
4-N,4-N-bis(2-methoxyethyl)-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80962058
4-N,6-N-dimethyl-4-N-pentan-3-yl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80967077
2-[methyl-[6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]amino]benzonitrile
CID 80955643
6-N-ethyl-4-N-methyl-4-N-phenyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80956228
4-N-cyclopropyl-6-N-methyl-2-propan-2-yl-4-N-propylpyrimidine-4,6-diamine
CID 80967223
N,N-dimethyl-2-[[6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]-propylamino]acetamide
CID 80961595
2-[methyl-[6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]amino]-N-propan-2-ylacetamide
CID 80961506
4-N-[(4-chlorophenyl)methyl]-4-N,6-N-dimethyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80961121
4-N-cyclopropyl-4-N-ethyl-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80967655
4-N,6-N-dimethyl-4-N-(1-methylpiperidin-3-yl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 80957454
6-(3-fluoro-5-methylphenyl)-N-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80952716

Frequently Asked Questions

What is the IUPAC name of 4-N-(3,5-dimethylphenyl)-4-N,6-N-dimethyl-2-propan-2-ylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(3,5-dimethylphenyl)-4-N,6-N-dimethyl-2-propan-2-ylpyrimidine-4,6-diamine (CID 80967150) is 4-N-(3,5-dimethylphenyl)-4-N,6-N-dimethyl-2-propan-2-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(3,5-dimethylphenyl)-4-N,6-N-dimethyl-2-propan-2-ylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(3,5-dimethylphenyl)-4-N,6-N-dimethyl-2-propan-2-ylpyrimidine-4,6-diamine is CNc1cc(N(C)c2cc(C)cc(C)c2)nc(C(C)C)n1.
What is the InChIKey of 4-N-(3,5-dimethylphenyl)-4-N,6-N-dimethyl-2-propan-2-ylpyrimidine-4,6-diamine?
The InChIKey is JLYUAYGGNRCXBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-11(2)17-19-15(18-5)10-16(20-17)21(6)14-8-12(3)7-13(4)9-14/h7-11H,1-6H3,(H,18,19,20).
What are the key properties of 4-N-(3,5-dimethylphenyl)-4-N,6-N-dimethyl-2-propan-2-ylpyrimidine-4,6-diamine?
4-N-(3,5-dimethylphenyl)-4-N,6-N-dimethyl-2-propan-2-ylpyrimidine-4,6-diamine has a molecular weight of 284.41 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3,5-dimethylphenyl)-4-N,6-N-dimethyl-2-propan-2-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 80967150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).