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

C16H22N4 — CID 80977168

IUPAC4-N-(3,4-dimethylphenyl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine
SMILESCc1ccc(Nc2nc(C(C)C)nc(N)c2C)cc1C
InChIInChI=1S/C16H22N4/c1-9(2)15-19-14(17)12(5)16(20-15)18-13-7-6-10(3)11(4)8-13/h6-9H,1-5H3,(H3,17,18,19,20)
InChIKeyMWBAYOHJMKUNQJ-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.85
Rot. Bonds3

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

4-N-(3,4-dimethylphenyl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine (PubChem CID 80977168) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is 4-N-(3,4-dimethylphenyl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(3,4-dimethylphenyl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine
PubChem CID80977168
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name4-N-(3,4-dimethylphenyl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine
SMILESCc1ccc(Nc2nc(C(C)C)nc(N)c2C)cc1C
InChIInChI=1S/C16H22N4/c1-9(2)15-19-14(17)12(5)16(20-15)18-13-7-6-10(3)11(4)8-13/h6-9H,1-5H3,(H3,17,18,19,20)
InChIKeyMWBAYOHJMKUNQJ-UHFFFAOYSA-N
XLogP3.85
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(3-bromo-4-methoxyphenyl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80982672
4-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]benzonitrile
CID 80981896
4-N-(5-bromo-2-methylphenyl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80994250
5-methyl-2-propan-2-yl-4-N-(4-propylphenyl)pyrimidine-4,6-diamine
CID 80986116
2-cyclopropyl-4-N-(3,4-dimethylphenyl)-5-methylpyrimidine-4,6-diamine
CID 80975985
5-methyl-4-N-(2-methylphenyl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 80976348
5-methyl-2-propan-2-yl-4-N-(2,4,6-trifluorophenyl)pyrimidine-4,6-diamine
CID 80992552
4-N-(3,4-dimethylphenyl)-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80956276
5-methyl-4-N-(1-methylpyrazol-3-yl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 80992963
2-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]-6-methylbenzonitrile
CID 107801932
4-N-(4-iodophenyl)-6-N,5-dimethyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80976810
4-N-tert-butyl-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80976699

Frequently Asked Questions

What is the IUPAC name of 4-N-(3,4-dimethylphenyl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(3,4-dimethylphenyl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine (CID 80977168) is 4-N-(3,4-dimethylphenyl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(3,4-dimethylphenyl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(3,4-dimethylphenyl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine is Cc1ccc(Nc2nc(C(C)C)nc(N)c2C)cc1C.
What is the InChIKey of 4-N-(3,4-dimethylphenyl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine?
The InChIKey is MWBAYOHJMKUNQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-9(2)15-19-14(17)12(5)16(20-15)18-13-7-6-10(3)11(4)8-13/h6-9H,1-5H3,(H3,17,18,19,20).
What are the key properties of 4-N-(3,4-dimethylphenyl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine?
4-N-(3,4-dimethylphenyl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine has a molecular weight of 270.38 g/mol, XLogP of 3.85, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3,4-dimethylphenyl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 80977168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).