4-N-benzyl-4-N-ethyl-6-methyl-2-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine

C22H26N4 — CID 112915931

IUPAC4-N-benzyl-4-N-ethyl-6-methyl-2-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine
SMILESCCN(Cc1ccccc1)c1cc(C)nc(NCc2ccccc2C)n1
InChIInChI=1S/C22H26N4/c1-4-26(16-19-11-6-5-7-12-19)21-14-18(3)24-22(25-21)23-15-20-13-9-8-10-17(20)2/h5-14H,4,15-16H2,1-3H3,(H,23,24,25)
InChIKeyPPZHIZJHUDMUAD-UHFFFAOYSA-N
MW346.48 g/mol
LogP4.73
Rot. Bonds7

About 4-N-benzyl-4-N-ethyl-6-methyl-2-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine

4-N-benzyl-4-N-ethyl-6-methyl-2-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine (PubChem CID 112915931) has the molecular formula C22H26N4 and a molecular weight of 346.48 g/mol. Its IUPAC name is 4-N-benzyl-4-N-ethyl-6-methyl-2-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-benzyl-4-N-ethyl-6-methyl-2-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine
PubChem CID112915931
Molecular FormulaC22H26N4
Molecular Weight346.48 g/mol
Exact Mass346.22
IUPAC Name4-N-benzyl-4-N-ethyl-6-methyl-2-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine
SMILESCCN(Cc1ccccc1)c1cc(C)nc(NCc2ccccc2C)n1
InChIInChI=1S/C22H26N4/c1-4-26(16-19-11-6-5-7-12-19)21-14-18(3)24-22(25-21)23-15-20-13-9-8-10-17(20)2/h5-14H,4,15-16H2,1-3H3,(H,23,24,25)
InChIKeyPPZHIZJHUDMUAD-UHFFFAOYSA-N
XLogP4.73
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-benzyl-4-N-ethyl-2-N,6-dimethylpyrimidine-2,4-diamine
CID 80754573
4-N-benzyl-4-N-ethyl-6-methyl-2-N-(2-methylphenyl)pyrimidine-2,4-diamine
CID 112918908
4-N,6-dimethyl-2-N-[(2-methylphenyl)methyl]-4-N-phenylpyrimidine-2,4-diamine
CID 112915980
4-N-benzyl-2-N-(3-chloro-4-methylphenyl)-4-N-ethyl-6-methylpyrimidine-2,4-diamine
CID 112918933
2-N-benzyl-2-N-ethyl-4-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112889696
2-N-benzyl-6-methyl-4-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112915625
4-N-benzyl-4-N-ethyl-2-N-(4-methoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 112918940
4-N,4-N-diethyl-2-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112889893
4-methoxy-6-methyl-N-[(2-methylphenyl)methyl]pyrimidin-2-amine
CID 112691004
4-N-benzyl-2-N-(4-chloro-2-methoxy-5-methylphenyl)-4-N-ethyl-6-methylpyrimidine-2,4-diamine
CID 112918971
4-N-benzyl-2-N-(3-chloro-4-fluorophenyl)-4-N-ethyl-6-methylpyrimidine-2,4-diamine
CID 112918934
4-N-benzyl-2-N-(2,4-dimethoxyphenyl)-4-N-ethyl-6-methylpyrimidine-2,4-diamine
CID 112918947

Frequently Asked Questions

What is the IUPAC name of 4-N-benzyl-4-N-ethyl-6-methyl-2-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-benzyl-4-N-ethyl-6-methyl-2-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine (CID 112915931) is 4-N-benzyl-4-N-ethyl-6-methyl-2-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-benzyl-4-N-ethyl-6-methyl-2-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-benzyl-4-N-ethyl-6-methyl-2-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine is CCN(Cc1ccccc1)c1cc(C)nc(NCc2ccccc2C)n1.
What is the InChIKey of 4-N-benzyl-4-N-ethyl-6-methyl-2-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine?
The InChIKey is PPZHIZJHUDMUAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4/c1-4-26(16-19-11-6-5-7-12-19)21-14-18(3)24-22(25-21)23-15-20-13-9-8-10-17(20)2/h5-14H,4,15-16H2,1-3H3,(H,23,24,25).
What are the key properties of 4-N-benzyl-4-N-ethyl-6-methyl-2-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine?
4-N-benzyl-4-N-ethyl-6-methyl-2-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine has a molecular weight of 346.48 g/mol, XLogP of 4.73, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-benzyl-4-N-ethyl-6-methyl-2-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 112915931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).