2-methyl-4-N-[(4-methylphenyl)methyl]-6-(2-methylpropoxy)pyrimidine-4,5-diamine

C17H24N4O — CID 82455532

IUPAC2-methyl-4-N-[(4-methylphenyl)methyl]-6-(2-methylpropoxy)pyrimidine-4,5-diamine
SMILESCc1ccc(CNc2nc(C)nc(OCC(C)C)c2N)cc1
InChIInChI=1S/C17H24N4O/c1-11(2)10-22-17-15(18)16(20-13(4)21-17)19-9-14-7-5-12(3)6-8-14/h5-8,11H,9-10,18H2,1-4H3,(H,19,20,21)
InChIKeyMXCDAJFXKAWUMT-UHFFFAOYSA-N
MW300.41 g/mol
LogP3.32
Rot. Bonds6

About 2-methyl-4-N-[(4-methylphenyl)methyl]-6-(2-methylpropoxy)pyrimidine-4,5-diamine

2-methyl-4-N-[(4-methylphenyl)methyl]-6-(2-methylpropoxy)pyrimidine-4,5-diamine (PubChem CID 82455532) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is 2-methyl-4-N-[(4-methylphenyl)methyl]-6-(2-methylpropoxy)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name2-methyl-4-N-[(4-methylphenyl)methyl]-6-(2-methylpropoxy)pyrimidine-4,5-diamine
PubChem CID82455532
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC Name2-methyl-4-N-[(4-methylphenyl)methyl]-6-(2-methylpropoxy)pyrimidine-4,5-diamine
SMILESCc1ccc(CNc2nc(C)nc(OCC(C)C)c2N)cc1
InChIInChI=1S/C17H24N4O/c1-11(2)10-22-17-15(18)16(20-13(4)21-17)19-9-14-7-5-12(3)6-8-14/h5-8,11H,9-10,18H2,1-4H3,(H,19,20,21)
InChIKeyMXCDAJFXKAWUMT-UHFFFAOYSA-N
XLogP3.32
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-[(4-fluorophenyl)methyl]-2-methyl-6-(2-methylpropoxy)pyrimidine-4,5-diamine
CID 82455541
4-N-ethyl-2-methyl-6-(2-methylpropoxy)pyrimidine-4,5-diamine
CID 82455505
4-N-butyl-2-methyl-6-(2-methylpropoxy)pyrimidine-4,5-diamine
CID 82455513
4-N-cyclopropyl-2-methyl-6-(2-methylpropoxy)pyrimidine-4,5-diamine
CID 82455507
4-N-[(4-chlorophenyl)methyl]-6-methoxy-2-methylpyrimidine-4,5-diamine
CID 82455360
4-N-[(4-fluorophenyl)methyl]-6-(2-methylpropoxy)pyrimidine-4,5-diamine
CID 82455219
2-methyl-N-[(4-methylphenyl)methyl]-6-(2-methylpropoxy)pyrimidin-4-amine
CID 82454179
4-N-(3-ethoxypropyl)-2-methyl-6-(2-methylpropoxy)pyrimidine-4,5-diamine
CID 82455515
6-ethoxy-4-N-[(4-methylphenyl)methyl]-2-propylpyrimidine-4,5-diamine
CID 82456062
6-(2-methoxyethoxy)-2-methyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,5-diamine
CID 82455574
6-ethoxy-2-(2-methylpropyl)-4-N-(pyridin-4-ylmethyl)pyrimidine-4,5-diamine
CID 82458261
2-tert-butyl-6-chloro-4-N-[(4-methylphenyl)methyl]pyrimidine-4,5-diamine
CID 82459346

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-N-[(4-methylphenyl)methyl]-6-(2-methylpropoxy)pyrimidine-4,5-diamine?
The IUPAC name of 2-methyl-4-N-[(4-methylphenyl)methyl]-6-(2-methylpropoxy)pyrimidine-4,5-diamine (CID 82455532) is 2-methyl-4-N-[(4-methylphenyl)methyl]-6-(2-methylpropoxy)pyrimidine-4,5-diamine.
What is the SMILES notation for 2-methyl-4-N-[(4-methylphenyl)methyl]-6-(2-methylpropoxy)pyrimidine-4,5-diamine?
The canonical SMILES for 2-methyl-4-N-[(4-methylphenyl)methyl]-6-(2-methylpropoxy)pyrimidine-4,5-diamine is Cc1ccc(CNc2nc(C)nc(OCC(C)C)c2N)cc1.
What is the InChIKey of 2-methyl-4-N-[(4-methylphenyl)methyl]-6-(2-methylpropoxy)pyrimidine-4,5-diamine?
The InChIKey is MXCDAJFXKAWUMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O/c1-11(2)10-22-17-15(18)16(20-13(4)21-17)19-9-14-7-5-12(3)6-8-14/h5-8,11H,9-10,18H2,1-4H3,(H,19,20,21).
What are the key properties of 2-methyl-4-N-[(4-methylphenyl)methyl]-6-(2-methylpropoxy)pyrimidine-4,5-diamine?
2-methyl-4-N-[(4-methylphenyl)methyl]-6-(2-methylpropoxy)pyrimidine-4,5-diamine has a molecular weight of 300.41 g/mol, XLogP of 3.32, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-N-[(4-methylphenyl)methyl]-6-(2-methylpropoxy)pyrimidine-4,5-diamine is sourced from PubChem (CID 82455532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).