2-N-[2-(dimethylamino)ethyl]-4-N-(2-ethoxyphenyl)-6-phenylpyrimidine-2,4-diamine

C22H27N5O — CID 112935986

IUPAC2-N-[2-(dimethylamino)ethyl]-4-N-(2-ethoxyphenyl)-6-phenylpyrimidine-2,4-diamine
SMILESCCOc1ccccc1Nc1cc(-c2ccccc2)nc(NCCN(C)C)n1
InChIInChI=1S/C22H27N5O/c1-4-28-20-13-9-8-12-18(20)24-21-16-19(17-10-6-5-7-11-17)25-22(26-21)23-14-15-27(2)3/h5-13,16H,4,14-15H2,1-3H3,(H2,23,24,25,26)
InChIKeyWJLWCGPNYVEBDR-UHFFFAOYSA-N
MW377.49 g/mol
LogP4.26
Rot. Bonds9

About 2-N-[2-(dimethylamino)ethyl]-4-N-(2-ethoxyphenyl)-6-phenylpyrimidine-2,4-diamine

2-N-[2-(dimethylamino)ethyl]-4-N-(2-ethoxyphenyl)-6-phenylpyrimidine-2,4-diamine (PubChem CID 112935986) has the molecular formula C22H27N5O and a molecular weight of 377.49 g/mol. Its IUPAC name is 2-N-[2-(dimethylamino)ethyl]-4-N-(2-ethoxyphenyl)-6-phenylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-[2-(dimethylamino)ethyl]-4-N-(2-ethoxyphenyl)-6-phenylpyrimidine-2,4-diamine
PubChem CID112935986
Molecular FormulaC22H27N5O
Molecular Weight377.49 g/mol
Exact Mass377.22
IUPAC Name2-N-[2-(dimethylamino)ethyl]-4-N-(2-ethoxyphenyl)-6-phenylpyrimidine-2,4-diamine
SMILESCCOc1ccccc1Nc1cc(-c2ccccc2)nc(NCCN(C)C)n1
InChIInChI=1S/C22H27N5O/c1-4-28-20-13-9-8-12-18(20)24-21-16-19(17-10-6-5-7-11-17)25-22(26-21)23-14-15-27(2)3/h5-13,16H,4,14-15H2,1-3H3,(H2,23,24,25,26)
InChIKeyWJLWCGPNYVEBDR-UHFFFAOYSA-N
XLogP4.26
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 ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-[2-(dimethylamino)ethyl]-2-N-(2-ethoxyphenyl)-6-phenylpyrimidine-2,4-diamine
CID 112935869
2-N-[2-(dimethylamino)ethyl]-4-N-(2-methylphenyl)-6-phenylpyrimidine-2,4-diamine
CID 112935950
4-N-(2-ethoxyphenyl)-6-phenyl-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
CID 112937448
2-N-[2-(dimethylamino)ethyl]-4-N-(3,5-dimethylphenyl)-6-phenylpyrimidine-2,4-diamine
CID 112935959
4-N-(4-tert-butylphenyl)-2-N-[2-(dimethylamino)ethyl]-6-phenylpyrimidine-2,4-diamine
CID 112935970
4-N-(2-ethoxyphenyl)-6-methyl-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 112924439
4-N-[2-(dimethylamino)ethyl]-2-N-(4-methylphenyl)-6-phenylpyrimidine-2,4-diamine
CID 112935835
4-N-[2-(dimethylamino)ethyl]-2-N-(3,5-dimethylphenyl)-6-phenylpyrimidine-2,4-diamine
CID 112935842
4-N-cyclopropyl-2-N-[3-(dimethylamino)propyl]-6-phenylpyrimidine-2,4-diamine
CID 112932935
4-N-[2-(dimethylamino)ethyl]-2-N-[(3-methylphenyl)methyl]-6-phenylpyrimidine-2,4-diamine
CID 112935791
2-N-(4-chlorophenyl)-4-N-[2-(dimethylamino)ethyl]-6-phenylpyrimidine-2,4-diamine
CID 112935858
4-N-(2-ethoxyphenyl)-6-methyl-2-N-(2-methylpropyl)pyrimidine-2,4-diamine
CID 112908782

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(dimethylamino)ethyl]-4-N-(2-ethoxyphenyl)-6-phenylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-[2-(dimethylamino)ethyl]-4-N-(2-ethoxyphenyl)-6-phenylpyrimidine-2,4-diamine (CID 112935986) is 2-N-[2-(dimethylamino)ethyl]-4-N-(2-ethoxyphenyl)-6-phenylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-[2-(dimethylamino)ethyl]-4-N-(2-ethoxyphenyl)-6-phenylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-[2-(dimethylamino)ethyl]-4-N-(2-ethoxyphenyl)-6-phenylpyrimidine-2,4-diamine is CCOc1ccccc1Nc1cc(-c2ccccc2)nc(NCCN(C)C)n1.
What is the InChIKey of 2-N-[2-(dimethylamino)ethyl]-4-N-(2-ethoxyphenyl)-6-phenylpyrimidine-2,4-diamine?
The InChIKey is WJLWCGPNYVEBDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O/c1-4-28-20-13-9-8-12-18(20)24-21-16-19(17-10-6-5-7-11-17)25-22(26-21)23-14-15-27(2)3/h5-13,16H,4,14-15H2,1-3H3,(H2,23,24,25,26).
What are the key properties of 2-N-[2-(dimethylamino)ethyl]-4-N-(2-ethoxyphenyl)-6-phenylpyrimidine-2,4-diamine?
2-N-[2-(dimethylamino)ethyl]-4-N-(2-ethoxyphenyl)-6-phenylpyrimidine-2,4-diamine has a molecular weight of 377.49 g/mol, XLogP of 4.26, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(dimethylamino)ethyl]-4-N-(2-ethoxyphenyl)-6-phenylpyrimidine-2,4-diamine is sourced from PubChem (CID 112935986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).