4-N-benzyl-2-N-(2,5-dimethoxyphenyl)-4-N-ethylpyrimidine-2,4-diamine

C21H24N4O2 — CID 112892967

IUPAC4-N-benzyl-2-N-(2,5-dimethoxyphenyl)-4-N-ethylpyrimidine-2,4-diamine
SMILESCCN(Cc1ccccc1)c1ccnc(Nc2cc(OC)ccc2OC)n1
InChIInChI=1S/C21H24N4O2/c1-4-25(15-16-8-6-5-7-9-16)20-12-13-22-21(24-20)23-18-14-17(26-2)10-11-19(18)27-3/h5-14H,4,15H2,1-3H3,(H,22,23,24)
InChIKeyBGQLHROQGVKGDI-UHFFFAOYSA-N
MW364.45 g/mol
LogP4.26
Rot. Bonds8

About 4-N-benzyl-2-N-(2,5-dimethoxyphenyl)-4-N-ethylpyrimidine-2,4-diamine

4-N-benzyl-2-N-(2,5-dimethoxyphenyl)-4-N-ethylpyrimidine-2,4-diamine (PubChem CID 112892967) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 4-N-benzyl-2-N-(2,5-dimethoxyphenyl)-4-N-ethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-benzyl-2-N-(2,5-dimethoxyphenyl)-4-N-ethylpyrimidine-2,4-diamine
PubChem CID112892967
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name4-N-benzyl-2-N-(2,5-dimethoxyphenyl)-4-N-ethylpyrimidine-2,4-diamine
SMILESCCN(Cc1ccccc1)c1ccnc(Nc2cc(OC)ccc2OC)n1
InChIInChI=1S/C21H24N4O2/c1-4-25(15-16-8-6-5-7-9-16)20-12-13-22-21(24-20)23-18-14-17(26-2)10-11-19(18)27-3/h5-14H,4,15H2,1-3H3,(H,22,23,24)
InChIKeyBGQLHROQGVKGDI-UHFFFAOYSA-N
XLogP4.26
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-benzyl-2-N-(3-chloro-4-methoxyphenyl)-4-N-ethylpyrimidine-2,4-diamine
CID 112892955
4-N-benzyl-2-N-(2,4-dimethoxyphenyl)-4-N-ethyl-6-methylpyrimidine-2,4-diamine
CID 112918947
4-N-benzyl-4-N-ethyl-2-N-(2-fluorophenyl)pyrimidine-2,4-diamine
CID 112892945
2-N-(2,5-dimethoxyphenyl)-4-N-ethyl-4-N-(3-methylphenyl)pyrimidine-2,4-diamine
CID 112905325
2-[benzyl(ethyl)amino]-N-(2,5-dimethoxyphenyl)pyrimidine-4-carboxamide
CID 109306756
4-N-benzyl-2-N-(2,3-dichlorophenyl)-4-N-ethylpyrimidine-2,4-diamine
CID 112893004
4-N-[4-(diethylamino)phenyl]-2-N-(2,5-dimethoxyphenyl)pyrimidine-2,4-diamine
CID 112905309
2-N-(2,5-dimethoxyphenyl)-4-N-methyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine
CID 112895655
4-N-benzyl-2-N-(3,4-dichlorophenyl)-4-N-ethylpyrimidine-2,4-diamine
CID 112892999
4-N-benzyl-2-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-N-ethylpyrimidine-2,4-diamine
CID 112892993
N-benzyl-2-(2,5-dimethoxyanilino)-N-ethylpyrimidine-5-carboxamide
CID 109258397
4-N-benzyl-2-N-[3-(dimethylamino)propyl]-4-N-ethylpyrimidine-2,4-diamine
CID 112887748

Frequently Asked Questions

What is the IUPAC name of 4-N-benzyl-2-N-(2,5-dimethoxyphenyl)-4-N-ethylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-benzyl-2-N-(2,5-dimethoxyphenyl)-4-N-ethylpyrimidine-2,4-diamine (CID 112892967) is 4-N-benzyl-2-N-(2,5-dimethoxyphenyl)-4-N-ethylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-benzyl-2-N-(2,5-dimethoxyphenyl)-4-N-ethylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-benzyl-2-N-(2,5-dimethoxyphenyl)-4-N-ethylpyrimidine-2,4-diamine is CCN(Cc1ccccc1)c1ccnc(Nc2cc(OC)ccc2OC)n1.
What is the InChIKey of 4-N-benzyl-2-N-(2,5-dimethoxyphenyl)-4-N-ethylpyrimidine-2,4-diamine?
The InChIKey is BGQLHROQGVKGDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-4-25(15-16-8-6-5-7-9-16)20-12-13-22-21(24-20)23-18-14-17(26-2)10-11-19(18)27-3/h5-14H,4,15H2,1-3H3,(H,22,23,24).
What are the key properties of 4-N-benzyl-2-N-(2,5-dimethoxyphenyl)-4-N-ethylpyrimidine-2,4-diamine?
4-N-benzyl-2-N-(2,5-dimethoxyphenyl)-4-N-ethylpyrimidine-2,4-diamine has a molecular weight of 364.45 g/mol, XLogP of 4.26, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-benzyl-2-N-(2,5-dimethoxyphenyl)-4-N-ethylpyrimidine-2,4-diamine is sourced from PubChem (CID 112892967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).