4-N-benzyl-4-N-ethyl-6-N-[2-(3-methoxyphenyl)ethyl]pyrimidine-4,6-diamine

C22H26N4O — CID 112860466

IUPAC4-N-benzyl-4-N-ethyl-6-N-[2-(3-methoxyphenyl)ethyl]pyrimidine-4,6-diamine
SMILESCCN(Cc1ccccc1)c1cc(NCCc2cccc(OC)c2)ncn1
InChIInChI=1S/C22H26N4O/c1-3-26(16-19-8-5-4-6-9-19)22-15-21(24-17-25-22)23-13-12-18-10-7-11-20(14-18)27-2/h4-11,14-15,17H,3,12-13,16H2,1-2H3,(H,23,24,25)
InChIKeyLBEWGYGSRUOYGQ-UHFFFAOYSA-N
MW362.48 g/mol
LogP4.17
Rot. Bonds9

About 4-N-benzyl-4-N-ethyl-6-N-[2-(3-methoxyphenyl)ethyl]pyrimidine-4,6-diamine

4-N-benzyl-4-N-ethyl-6-N-[2-(3-methoxyphenyl)ethyl]pyrimidine-4,6-diamine (PubChem CID 112860466) has the molecular formula C22H26N4O and a molecular weight of 362.48 g/mol. Its IUPAC name is 4-N-benzyl-4-N-ethyl-6-N-[2-(3-methoxyphenyl)ethyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-benzyl-4-N-ethyl-6-N-[2-(3-methoxyphenyl)ethyl]pyrimidine-4,6-diamine
PubChem CID112860466
Molecular FormulaC22H26N4O
Molecular Weight362.48 g/mol
Exact Mass362.21
IUPAC Name4-N-benzyl-4-N-ethyl-6-N-[2-(3-methoxyphenyl)ethyl]pyrimidine-4,6-diamine
SMILESCCN(Cc1ccccc1)c1cc(NCCc2cccc(OC)c2)ncn1
InChIInChI=1S/C22H26N4O/c1-3-26(16-19-8-5-4-6-9-19)22-15-21(24-17-25-22)23-13-12-18-10-7-11-20(14-18)27-2/h4-11,14-15,17H,3,12-13,16H2,1-2H3,(H,23,24,25)
InChIKeyLBEWGYGSRUOYGQ-UHFFFAOYSA-N
XLogP4.17
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-benzyl-4-N-ethyl-6-N-[(2-methoxyphenyl)methyl]pyrimidine-4,6-diamine
CID 112860053
6-N-butyl-4-N-[2-(3-methoxyphenyl)ethyl]pyrimidine-4,6-diamine
CID 112855106
4-N,4-N-diethyl-6-N-(3-phenylpropyl)pyrimidine-4,6-diamine
CID 112863444
N-ethyl-6-[2-(3-methoxyphenyl)ethylamino]-N-phenylpyrimidine-4-carboxamide
CID 109351316
4-N-(2-bromophenyl)-6-N-[2-(3-methoxyphenyl)ethyl]pyrimidine-4,6-diamine
CID 112861665
6-[2-(3-methoxyphenyl)ethylamino]-N-phenylpyrimidine-4-carboxamide
CID 109351301
4-N,4-N-diethyl-6-N-(3-methoxyphenyl)pyrimidine-4,6-diamine
CID 112863500
6-(diethylamino)-N-[2-(3-methoxyphenyl)ethyl]pyrimidine-4-carboxamide
CID 109351354
4-N-benzyl-4-N-ethyl-6-N-[(4-fluorophenyl)methyl]pyrimidine-4,6-diamine
CID 112859705
4-N-(3,4-dimethoxyphenyl)-6-N-[2-(3-methoxyphenyl)ethyl]pyrimidine-4,6-diamine
CID 112861650
N-benzyl-N-ethyl-6-[2-(3-methoxyphenyl)ethylamino]pyridazine-3-carboxamide
CID 109120582
4-N-benzyl-6-N-[2-(3-chlorophenyl)ethyl]-4-N-methylpyrimidine-4,6-diamine
CID 112859467

Frequently Asked Questions

What is the IUPAC name of 4-N-benzyl-4-N-ethyl-6-N-[2-(3-methoxyphenyl)ethyl]pyrimidine-4,6-diamine?
The IUPAC name of 4-N-benzyl-4-N-ethyl-6-N-[2-(3-methoxyphenyl)ethyl]pyrimidine-4,6-diamine (CID 112860466) is 4-N-benzyl-4-N-ethyl-6-N-[2-(3-methoxyphenyl)ethyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-benzyl-4-N-ethyl-6-N-[2-(3-methoxyphenyl)ethyl]pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-benzyl-4-N-ethyl-6-N-[2-(3-methoxyphenyl)ethyl]pyrimidine-4,6-diamine is CCN(Cc1ccccc1)c1cc(NCCc2cccc(OC)c2)ncn1.
What is the InChIKey of 4-N-benzyl-4-N-ethyl-6-N-[2-(3-methoxyphenyl)ethyl]pyrimidine-4,6-diamine?
The InChIKey is LBEWGYGSRUOYGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O/c1-3-26(16-19-8-5-4-6-9-19)22-15-21(24-17-25-22)23-13-12-18-10-7-11-20(14-18)27-2/h4-11,14-15,17H,3,12-13,16H2,1-2H3,(H,23,24,25).
What are the key properties of 4-N-benzyl-4-N-ethyl-6-N-[2-(3-methoxyphenyl)ethyl]pyrimidine-4,6-diamine?
4-N-benzyl-4-N-ethyl-6-N-[2-(3-methoxyphenyl)ethyl]pyrimidine-4,6-diamine has a molecular weight of 362.48 g/mol, XLogP of 4.17, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-benzyl-4-N-ethyl-6-N-[2-(3-methoxyphenyl)ethyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 112860466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).