4-N-benzyl-2-N-[4-[2-(dimethylamino)ethoxy]phenyl]-5-methylpyrimidine-2,4-diamine

C22H27N5O — CID 146184524

IUPAC4-N-benzyl-2-N-[4-[2-(dimethylamino)ethoxy]phenyl]-5-methylpyrimidine-2,4-diamine
SMILESCc1cnc(Nc2ccc(OCCN(C)C)cc2)nc1NCc1ccccc1
InChIInChI=1S/C22H27N5O/c1-17-15-24-22(26-21(17)23-16-18-7-5-4-6-8-18)25-19-9-11-20(12-10-19)28-14-13-27(2)3/h4-12,15H,13-14,16H2,1-3H3,(H2,23,24,25,26)
InChIKeyTYOPRGVYJFRGQE-UHFFFAOYSA-N
MW377.49 g/mol
LogP4.08
Rot. Bonds9

About 4-N-benzyl-2-N-[4-[2-(dimethylamino)ethoxy]phenyl]-5-methylpyrimidine-2,4-diamine

4-N-benzyl-2-N-[4-[2-(dimethylamino)ethoxy]phenyl]-5-methylpyrimidine-2,4-diamine (PubChem CID 146184524) has the molecular formula C22H27N5O and a molecular weight of 377.49 g/mol. Its IUPAC name is 4-N-benzyl-2-N-[4-[2-(dimethylamino)ethoxy]phenyl]-5-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-benzyl-2-N-[4-[2-(dimethylamino)ethoxy]phenyl]-5-methylpyrimidine-2,4-diamine
PubChem CID146184524
Molecular FormulaC22H27N5O
Molecular Weight377.49 g/mol
Exact Mass377.22
IUPAC Name4-N-benzyl-2-N-[4-[2-(dimethylamino)ethoxy]phenyl]-5-methylpyrimidine-2,4-diamine
SMILESCc1cnc(Nc2ccc(OCCN(C)C)cc2)nc1NCc1ccccc1
InChIInChI=1S/C22H27N5O/c1-17-15-24-22(26-21(17)23-16-18-7-5-4-6-8-18)25-19-9-11-20(12-10-19)28-14-13-27(2)3/h4-12,15H,13-14,16H2,1-3H3,(H2,23,24,25,26)
InChIKeyTYOPRGVYJFRGQE-UHFFFAOYSA-N
XLogP4.08
TPSA62.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-methyl-4-N-(2-phenoxyethyl)-2-N-pyridin-4-ylpyrimidine-2,4-diamine
CID 117093089
5-methyl-4-N-(2-phenoxyethyl)-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 117087930
2-N,5-dimethyl-4-N-(2-phenoxyethyl)pyrimidine-2,4-diamine
CID 80814813
4-N-benzyl-2-N-[4-[2-(dimethylamino)ethoxy]phenyl]-5-methyl-1,4-dihydropyrimidine-2,4-diamine
CID 146187084
1-[4-[(2-anilino-5-methylpyrimidin-4-yl)amino]phenoxy]pent-3-en-2-one
CID 123237874
(2,6-dimethylphenyl) N-[2-[4-[2-(dimethylamino)ethoxy]anilino]pyrimidin-4-yl]-N-(2-phenylethyl)carbamate
CID 69203486
5-methyl-4-N-naphthalen-1-yl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine
CID 16722731
4-[2-(dimethylamino)ethoxy]-N-[(4-fluorophenyl)methyl]aniline
CID 60942297
N-[(4-bromophenyl)methyl]-4-[2-(dimethylamino)ethoxy]aniline
CID 60942295
4-N-benzyl-5-chloro-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;N-benzyl-2,5-dichloropyrimidin-4-amine;4-(2-pyrrolidin-1-ylethoxy)aniline
CID 159954612
carbanide;ethane;5-methyl-2-N,4-N-diphenylpyrimidine-2,4-diamine;yttrium
CID 157300828
2-N-(4-methoxyphenyl)-4-N-[(4-methoxyphenyl)methyl]quinazoline-2,4-diamine
CID 71690865

Frequently Asked Questions

What is the IUPAC name of 4-N-benzyl-2-N-[4-[2-(dimethylamino)ethoxy]phenyl]-5-methylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-benzyl-2-N-[4-[2-(dimethylamino)ethoxy]phenyl]-5-methylpyrimidine-2,4-diamine (CID 146184524) is 4-N-benzyl-2-N-[4-[2-(dimethylamino)ethoxy]phenyl]-5-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-benzyl-2-N-[4-[2-(dimethylamino)ethoxy]phenyl]-5-methylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-benzyl-2-N-[4-[2-(dimethylamino)ethoxy]phenyl]-5-methylpyrimidine-2,4-diamine is Cc1cnc(Nc2ccc(OCCN(C)C)cc2)nc1NCc1ccccc1.
What is the InChIKey of 4-N-benzyl-2-N-[4-[2-(dimethylamino)ethoxy]phenyl]-5-methylpyrimidine-2,4-diamine?
The InChIKey is TYOPRGVYJFRGQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O/c1-17-15-24-22(26-21(17)23-16-18-7-5-4-6-8-18)25-19-9-11-20(12-10-19)28-14-13-27(2)3/h4-12,15H,13-14,16H2,1-3H3,(H2,23,24,25,26).
What are the key properties of 4-N-benzyl-2-N-[4-[2-(dimethylamino)ethoxy]phenyl]-5-methylpyrimidine-2,4-diamine?
4-N-benzyl-2-N-[4-[2-(dimethylamino)ethoxy]phenyl]-5-methylpyrimidine-2,4-diamine has a molecular weight of 377.49 g/mol, XLogP of 4.08, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-benzyl-2-N-[4-[2-(dimethylamino)ethoxy]phenyl]-5-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 146184524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).