2-N-benzyl-4-N-(2-phenylethyl)-2-N-propan-2-ylpyrimidine-2,4-diamine

C22H26N4 — CID 112893961

IUPAC2-N-benzyl-4-N-(2-phenylethyl)-2-N-propan-2-ylpyrimidine-2,4-diamine
SMILESCC(C)N(Cc1ccccc1)c1nccc(NCCc2ccccc2)n1
InChIInChI=1S/C22H26N4/c1-18(2)26(17-20-11-7-4-8-12-20)22-24-16-14-21(25-22)23-15-13-19-9-5-3-6-10-19/h3-12,14,16,18H,13,15,17H2,1-2H3,(H,23,24,25)
InChIKeyJWNBZHAROTZWEB-UHFFFAOYSA-N
MW346.48 g/mol
LogP4.55
Rot. Bonds8

About 2-N-benzyl-4-N-(2-phenylethyl)-2-N-propan-2-ylpyrimidine-2,4-diamine

2-N-benzyl-4-N-(2-phenylethyl)-2-N-propan-2-ylpyrimidine-2,4-diamine (PubChem CID 112893961) has the molecular formula C22H26N4 and a molecular weight of 346.48 g/mol. Its IUPAC name is 2-N-benzyl-4-N-(2-phenylethyl)-2-N-propan-2-ylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-benzyl-4-N-(2-phenylethyl)-2-N-propan-2-ylpyrimidine-2,4-diamine
PubChem CID112893961
Molecular FormulaC22H26N4
Molecular Weight346.48 g/mol
Exact Mass346.22
IUPAC Name2-N-benzyl-4-N-(2-phenylethyl)-2-N-propan-2-ylpyrimidine-2,4-diamine
SMILESCC(C)N(Cc1ccccc1)c1nccc(NCCc2ccccc2)n1
InChIInChI=1S/C22H26N4/c1-18(2)26(17-20-11-7-4-8-12-20)22-24-16-14-21(25-22)23-15-13-19-9-5-3-6-10-19/h3-12,14,16,18H,13,15,17H2,1-2H3,(H,23,24,25)
InChIKeyJWNBZHAROTZWEB-UHFFFAOYSA-N
XLogP4.55
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-benzyl-4-N-(2-chlorophenyl)-2-N-propan-2-ylpyrimidine-2,4-diamine
CID 112900090
2-N-benzyl-4-N-[4-(dimethylamino)phenyl]-2-N-propan-2-ylpyrimidine-2,4-diamine
CID 112900118
2-N-methyl-4-N-(2-phenylethyl)pyrimidine-2,4-diamine
CID 80777641
3-[[2-[benzyl(propan-2-yl)amino]pyrimidin-4-yl]amino]benzoic acid
CID 113193722
2-N-benzyl-4-N-[2-(2-fluorophenyl)ethyl]-6-methyl-2-N-propan-2-ylpyrimidine-2,4-diamine
CID 112920555
methyl 4-[[2-[benzyl(propan-2-yl)amino]pyrimidin-4-yl]amino]benzoate
CID 112900117
2-N-benzyl-2-N-methyl-4-N-(2-methylpropyl)pyrimidine-2,4-diamine
CID 112883165
2-N-benzyl-4-N-butyl-2-N-ethylpyrimidine-2,4-diamine
CID 112882826
2-[benzyl(propan-2-yl)amino]-N-propylpyrimidine-4-carboxamide
CID 109294999
2-N-(2-phenylethyl)-4-N-propan-2-ylpyrimidine-2,4-diamine
CID 112882002
4-N-butyl-2-N-(2-phenylethyl)pyrimidine-2,4-diamine
CID 112882830
N-benzyl-4-(4-methylpiperazin-1-yl)-N-propan-2-ylpyrimidin-2-amine
CID 112887960

Frequently Asked Questions

What is the IUPAC name of 2-N-benzyl-4-N-(2-phenylethyl)-2-N-propan-2-ylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-benzyl-4-N-(2-phenylethyl)-2-N-propan-2-ylpyrimidine-2,4-diamine (CID 112893961) is 2-N-benzyl-4-N-(2-phenylethyl)-2-N-propan-2-ylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-benzyl-4-N-(2-phenylethyl)-2-N-propan-2-ylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-benzyl-4-N-(2-phenylethyl)-2-N-propan-2-ylpyrimidine-2,4-diamine is CC(C)N(Cc1ccccc1)c1nccc(NCCc2ccccc2)n1.
What is the InChIKey of 2-N-benzyl-4-N-(2-phenylethyl)-2-N-propan-2-ylpyrimidine-2,4-diamine?
The InChIKey is JWNBZHAROTZWEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4/c1-18(2)26(17-20-11-7-4-8-12-20)22-24-16-14-21(25-22)23-15-13-19-9-5-3-6-10-19/h3-12,14,16,18H,13,15,17H2,1-2H3,(H,23,24,25).
What are the key properties of 2-N-benzyl-4-N-(2-phenylethyl)-2-N-propan-2-ylpyrimidine-2,4-diamine?
2-N-benzyl-4-N-(2-phenylethyl)-2-N-propan-2-ylpyrimidine-2,4-diamine has a molecular weight of 346.48 g/mol, XLogP of 4.55, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-benzyl-4-N-(2-phenylethyl)-2-N-propan-2-ylpyrimidine-2,4-diamine is sourced from PubChem (CID 112893961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).