6-N-methyl-4-N-[(3-methylphenyl)methyl]-5-propan-2-ylpyrimidine-4,6-diamine

C16H22N4 — CID 80790328

IUPAC6-N-methyl-4-N-[(3-methylphenyl)methyl]-5-propan-2-ylpyrimidine-4,6-diamine
SMILESCNc1ncnc(NCc2cccc(C)c2)c1C(C)C
InChIInChI=1S/C16H22N4/c1-11(2)14-15(17-4)19-10-20-16(14)18-9-13-7-5-6-12(3)8-13/h5-8,10-11H,9H2,1-4H3,(H2,17,18,19,20)
InChIKeyXUXZIZOOFANMPP-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.56
Rot. Bonds5

About 6-N-methyl-4-N-[(3-methylphenyl)methyl]-5-propan-2-ylpyrimidine-4,6-diamine

6-N-methyl-4-N-[(3-methylphenyl)methyl]-5-propan-2-ylpyrimidine-4,6-diamine (PubChem CID 80790328) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is 6-N-methyl-4-N-[(3-methylphenyl)methyl]-5-propan-2-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-methyl-4-N-[(3-methylphenyl)methyl]-5-propan-2-ylpyrimidine-4,6-diamine
PubChem CID80790328
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name6-N-methyl-4-N-[(3-methylphenyl)methyl]-5-propan-2-ylpyrimidine-4,6-diamine
SMILESCNc1ncnc(NCc2cccc(C)c2)c1C(C)C
InChIInChI=1S/C16H22N4/c1-11(2)14-15(17-4)19-10-20-16(14)18-9-13-7-5-6-12(3)8-13/h5-8,10-11H,9H2,1-4H3,(H2,17,18,19,20)
InChIKeyXUXZIZOOFANMPP-UHFFFAOYSA-N
XLogP3.56
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-N,5-diethyl-4-N-[(3-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 80791987
6-N-methyl-4-N-[(3-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 80791292
N-[(3-bromophenyl)methyl]-6-chloro-5-propan-2-ylpyrimidin-4-amine
CID 63729625
6-N-ethyl-4-N-(3-methylphenyl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 80755254
4-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine
CID 80848891
6-N-methyl-4-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-5-propan-2-ylpyrimidine-4,6-diamine
CID 106378719
6-N-[(3-methylphenyl)methyl]-4-N-propan-2-ylpyrimidine-4,6-diamine
CID 115265810
7-methyl-N-[(3-methylphenyl)methyl]pyrrolo[2,3-d]pyrimidin-4-amine
CID 110874931
6-N-methyl-4-N-[(4-methyl-3-pyridinyl)methyl]-5-propan-2-ylpyrimidine-4,6-diamine
CID 114957948
4-N-[(5-bromothiophen-2-yl)methyl]-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine
CID 80837341
6-hydrazinyl-N-[(3-methylphenyl)methyl]-5-nitropyrimidin-4-amine
CID 80899344
6-N-methyl-4-N-(3-methylbutyl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 80786302

Frequently Asked Questions

What is the IUPAC name of 6-N-methyl-4-N-[(3-methylphenyl)methyl]-5-propan-2-ylpyrimidine-4,6-diamine?
The IUPAC name of 6-N-methyl-4-N-[(3-methylphenyl)methyl]-5-propan-2-ylpyrimidine-4,6-diamine (CID 80790328) is 6-N-methyl-4-N-[(3-methylphenyl)methyl]-5-propan-2-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-methyl-4-N-[(3-methylphenyl)methyl]-5-propan-2-ylpyrimidine-4,6-diamine?
The canonical SMILES for 6-N-methyl-4-N-[(3-methylphenyl)methyl]-5-propan-2-ylpyrimidine-4,6-diamine is CNc1ncnc(NCc2cccc(C)c2)c1C(C)C.
What is the InChIKey of 6-N-methyl-4-N-[(3-methylphenyl)methyl]-5-propan-2-ylpyrimidine-4,6-diamine?
The InChIKey is XUXZIZOOFANMPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-11(2)14-15(17-4)19-10-20-16(14)18-9-13-7-5-6-12(3)8-13/h5-8,10-11H,9H2,1-4H3,(H2,17,18,19,20).
What are the key properties of 6-N-methyl-4-N-[(3-methylphenyl)methyl]-5-propan-2-ylpyrimidine-4,6-diamine?
6-N-methyl-4-N-[(3-methylphenyl)methyl]-5-propan-2-ylpyrimidine-4,6-diamine has a molecular weight of 270.38 g/mol, XLogP of 3.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-methyl-4-N-[(3-methylphenyl)methyl]-5-propan-2-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 80790328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).