4-N-benzyl-6-methyl-2-N-(2-methylpropyl)-4-N-phenylpyrimidine-2,4-diamine

C22H26N4 — CID 112908809

IUPAC4-N-benzyl-6-methyl-2-N-(2-methylpropyl)-4-N-phenylpyrimidine-2,4-diamine
SMILESCc1cc(N(Cc2ccccc2)c2ccccc2)nc(NCC(C)C)n1
InChIInChI=1S/C22H26N4/c1-17(2)15-23-22-24-18(3)14-21(25-22)26(20-12-8-5-9-13-20)16-19-10-6-4-7-11-19/h4-14,17H,15-16H2,1-3H3,(H,23,24,25)
InChIKeyMUFUXOFZUONEMQ-UHFFFAOYSA-N
MW346.48 g/mol
LogP5.19
Rot. Bonds7

About 4-N-benzyl-6-methyl-2-N-(2-methylpropyl)-4-N-phenylpyrimidine-2,4-diamine

4-N-benzyl-6-methyl-2-N-(2-methylpropyl)-4-N-phenylpyrimidine-2,4-diamine (PubChem CID 112908809) has the molecular formula C22H26N4 and a molecular weight of 346.48 g/mol. Its IUPAC name is 4-N-benzyl-6-methyl-2-N-(2-methylpropyl)-4-N-phenylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-benzyl-6-methyl-2-N-(2-methylpropyl)-4-N-phenylpyrimidine-2,4-diamine
PubChem CID112908809
Molecular FormulaC22H26N4
Molecular Weight346.48 g/mol
Exact Mass346.22
IUPAC Name4-N-benzyl-6-methyl-2-N-(2-methylpropyl)-4-N-phenylpyrimidine-2,4-diamine
SMILESCc1cc(N(Cc2ccccc2)c2ccccc2)nc(NCC(C)C)n1
InChIInChI=1S/C22H26N4/c1-17(2)15-23-22-24-18(3)14-21(25-22)26(20-12-8-5-9-13-20)16-19-10-6-4-7-11-19/h4-14,17H,15-16H2,1-3H3,(H,23,24,25)
InChIKeyMUFUXOFZUONEMQ-UHFFFAOYSA-N
XLogP5.19
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.48
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-benzyl-6-methyl-4-N-phenyl-2-N-prop-2-enylpyrimidine-2,4-diamine
CID 112908038
4-N-benzyl-6-N-(2-methylpropyl)-4-N-phenylpyrimidine-4,6-diamine
CID 112855406
4-N-benzyl-6-methyl-4-N-propan-2-yl-2-N-prop-2-enylpyrimidine-2,4-diamine
CID 112907957
2-N-butan-2-yl-4-N-ethyl-6-methyl-4-N-phenylpyrimidine-2,4-diamine
CID 112909138
4-N-benzyl-2-N-[2-(dimethylamino)ethyl]-4-N,6-dimethylpyrimidine-2,4-diamine
CID 112912954
4-N-benzyl-6-methyl-4-N-propan-2-yl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112919288
5-N-benzyl-3-N-(2-methylphenyl)-5-N-phenyl-1,2,4-triazine-3,5-diamine
CID 112961909
N-benzyl-2-hydrazinyl-N,6-dimethylpyrimidin-4-amine
CID 80918150
4-(4-benzylpiperazin-1-yl)-6-methyl-N-(2-methylpropyl)pyrimidin-2-amine
CID 112908701
4-N-benzyl-2-N-tert-butyl-4-N-phenylpyrimidine-2,4-diamine
CID 112899834
4-N-butyl-2-N,6-dimethyl-4-N-phenylpyrimidine-2,4-diamine
CID 80844969
4-N-benzyl-4-N-ethyl-2-N,6-dimethylpyrimidine-2,4-diamine
CID 80754573

Frequently Asked Questions

What is the IUPAC name of 4-N-benzyl-6-methyl-2-N-(2-methylpropyl)-4-N-phenylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-benzyl-6-methyl-2-N-(2-methylpropyl)-4-N-phenylpyrimidine-2,4-diamine (CID 112908809) is 4-N-benzyl-6-methyl-2-N-(2-methylpropyl)-4-N-phenylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-benzyl-6-methyl-2-N-(2-methylpropyl)-4-N-phenylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-benzyl-6-methyl-2-N-(2-methylpropyl)-4-N-phenylpyrimidine-2,4-diamine is Cc1cc(N(Cc2ccccc2)c2ccccc2)nc(NCC(C)C)n1.
What is the InChIKey of 4-N-benzyl-6-methyl-2-N-(2-methylpropyl)-4-N-phenylpyrimidine-2,4-diamine?
The InChIKey is MUFUXOFZUONEMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4/c1-17(2)15-23-22-24-18(3)14-21(25-22)26(20-12-8-5-9-13-20)16-19-10-6-4-7-11-19/h4-14,17H,15-16H2,1-3H3,(H,23,24,25).
What are the key properties of 4-N-benzyl-6-methyl-2-N-(2-methylpropyl)-4-N-phenylpyrimidine-2,4-diamine?
4-N-benzyl-6-methyl-2-N-(2-methylpropyl)-4-N-phenylpyrimidine-2,4-diamine has a molecular weight of 346.48 g/mol, XLogP of 5.19, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-benzyl-6-methyl-2-N-(2-methylpropyl)-4-N-phenylpyrimidine-2,4-diamine is sourced from PubChem (CID 112908809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).