2-cyclopropyl-4-N-(3,5-dimethylphenyl)-5-methylpyrimidine-4,6-diamine

C16H20N4 — CID 80981554

IUPAC2-cyclopropyl-4-N-(3,5-dimethylphenyl)-5-methylpyrimidine-4,6-diamine
SMILESCc1cc(C)cc(Nc2nc(C3CC3)nc(N)c2C)c1
InChIInChI=1S/C16H20N4/c1-9-6-10(2)8-13(7-9)18-15-11(3)14(17)19-16(20-15)12-4-5-12/h6-8,12H,4-5H2,1-3H3,(H3,17,18,19,20)
InChIKeyQZURGMAJPZDDEM-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.61
Rot. Bonds3

About 2-cyclopropyl-4-N-(3,5-dimethylphenyl)-5-methylpyrimidine-4,6-diamine

2-cyclopropyl-4-N-(3,5-dimethylphenyl)-5-methylpyrimidine-4,6-diamine (PubChem CID 80981554) has the molecular formula C16H20N4 and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-cyclopropyl-4-N-(3,5-dimethylphenyl)-5-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-cyclopropyl-4-N-(3,5-dimethylphenyl)-5-methylpyrimidine-4,6-diamine
PubChem CID80981554
Molecular FormulaC16H20N4
Molecular Weight268.36 g/mol
Exact Mass268.17
IUPAC Name2-cyclopropyl-4-N-(3,5-dimethylphenyl)-5-methylpyrimidine-4,6-diamine
SMILESCc1cc(C)cc(Nc2nc(C3CC3)nc(N)c2C)c1
InChIInChI=1S/C16H20N4/c1-9-6-10(2)8-13(7-9)18-15-11(3)14(17)19-16(20-15)12-4-5-12/h6-8,12H,4-5H2,1-3H3,(H3,17,18,19,20)
InChIKeyQZURGMAJPZDDEM-UHFFFAOYSA-N
XLogP3.61
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(4-bromo-3,5-dimethylphenyl)-2-cyclopropyl-5-methylpyrimidine-4,6-diamine
CID 107580689
2-cyclopropyl-4-N-(3,4-dimethylphenyl)-5-methylpyrimidine-4,6-diamine
CID 80975985
4-N-(3-chloro-5-fluorophenyl)-2-cyclopropyl-5-methylpyrimidine-4,6-diamine
CID 107371117
2-cyclopropyl-4-N-(4-fluorophenyl)-5-methylpyrimidine-4,6-diamine
CID 80981221
4-N-(4-bromo-2,6-dimethylphenyl)-2-cyclopropyl-5-methylpyrimidine-4,6-diamine
CID 80982498
2-cyclopropyl-4-N-(3-fluorophenyl)-5-methylpyrimidine-4,6-diamine
CID 80977204
4-N-(3-bromo-4-methoxyphenyl)-2-cyclopropyl-5-methylpyrimidine-4,6-diamine
CID 80982612
N-(3-bromo-5-methylphenyl)-6-chloro-2-cyclopropyl-5-methylpyrimidin-4-amine
CID 107576919
4-[(6-amino-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]benzonitrile
CID 80982222
2-cyclopropyl-4-N-(3-fluoro-4-methoxyphenyl)-5-methylpyrimidine-4,6-diamine
CID 80986122
2-cyclopropyl-6-hydrazinyl-5-methyl-N-(3-methylphenyl)pyrimidin-4-amine
CID 81007517
N-(4-bromo-3-fluorophenyl)-2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-amine
CID 81006460

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-N-(3,5-dimethylphenyl)-5-methylpyrimidine-4,6-diamine?
The IUPAC name of 2-cyclopropyl-4-N-(3,5-dimethylphenyl)-5-methylpyrimidine-4,6-diamine (CID 80981554) is 2-cyclopropyl-4-N-(3,5-dimethylphenyl)-5-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 2-cyclopropyl-4-N-(3,5-dimethylphenyl)-5-methylpyrimidine-4,6-diamine?
The canonical SMILES for 2-cyclopropyl-4-N-(3,5-dimethylphenyl)-5-methylpyrimidine-4,6-diamine is Cc1cc(C)cc(Nc2nc(C3CC3)nc(N)c2C)c1.
What is the InChIKey of 2-cyclopropyl-4-N-(3,5-dimethylphenyl)-5-methylpyrimidine-4,6-diamine?
The InChIKey is QZURGMAJPZDDEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4/c1-9-6-10(2)8-13(7-9)18-15-11(3)14(17)19-16(20-15)12-4-5-12/h6-8,12H,4-5H2,1-3H3,(H3,17,18,19,20).
What are the key properties of 2-cyclopropyl-4-N-(3,5-dimethylphenyl)-5-methylpyrimidine-4,6-diamine?
2-cyclopropyl-4-N-(3,5-dimethylphenyl)-5-methylpyrimidine-4,6-diamine has a molecular weight of 268.36 g/mol, XLogP of 3.61, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-N-(3,5-dimethylphenyl)-5-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 80981554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).