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

C21H25N5 — CID 112935950

IUPAC2-N-[2-(dimethylamino)ethyl]-4-N-(2-methylphenyl)-6-phenylpyrimidine-2,4-diamine
SMILESCc1ccccc1Nc1cc(-c2ccccc2)nc(NCCN(C)C)n1
InChIInChI=1S/C21H25N5/c1-16-9-7-8-12-18(16)23-20-15-19(17-10-5-4-6-11-17)24-21(25-20)22-13-14-26(2)3/h4-12,15H,13-14H2,1-3H3,(H2,22,23,24,25)
InChIKeyLACCJUYOYYPICV-UHFFFAOYSA-N
MW347.47 g/mol
LogP4.17
Rot. Bonds7

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

2-N-[2-(dimethylamino)ethyl]-4-N-(2-methylphenyl)-6-phenylpyrimidine-2,4-diamine (PubChem CID 112935950) has the molecular formula C21H25N5 and a molecular weight of 347.47 g/mol. Its IUPAC name is 2-N-[2-(dimethylamino)ethyl]-4-N-(2-methylphenyl)-6-phenylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-[2-(dimethylamino)ethyl]-4-N-(2-methylphenyl)-6-phenylpyrimidine-2,4-diamine
PubChem CID112935950
Molecular FormulaC21H25N5
Molecular Weight347.47 g/mol
Exact Mass347.21
IUPAC Name2-N-[2-(dimethylamino)ethyl]-4-N-(2-methylphenyl)-6-phenylpyrimidine-2,4-diamine
SMILESCc1ccccc1Nc1cc(-c2ccccc2)nc(NCCN(C)C)n1
InChIInChI=1S/C21H25N5/c1-16-9-7-8-12-18(16)23-20-15-19(17-10-5-4-6-11-17)24-21(25-20)22-13-14-26(2)3/h4-12,15H,13-14H2,1-3H3,(H2,22,23,24,25)
InChIKeyLACCJUYOYYPICV-UHFFFAOYSA-N
XLogP4.17
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.47
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-[2-(dimethylamino)ethyl]-4-N-(3,5-dimethylphenyl)-6-phenylpyrimidine-2,4-diamine
CID 112935959
2-N-[2-(dimethylamino)ethyl]-4-N-(2-ethoxyphenyl)-6-phenylpyrimidine-2,4-diamine
CID 112935986
4-N-(4-tert-butylphenyl)-2-N-[2-(dimethylamino)ethyl]-6-phenylpyrimidine-2,4-diamine
CID 112935970
2-N-(4-chloro-2-methylphenyl)-4-N-[2-(dimethylamino)ethyl]-6-phenylpyrimidine-2,4-diamine
CID 112935861
4-N-[2-(dimethylamino)ethyl]-2-N-(3,5-dimethylphenyl)-6-phenylpyrimidine-2,4-diamine
CID 112935842
4-N-[2-(dimethylamino)ethyl]-2-N-(4-methylphenyl)-6-phenylpyrimidine-2,4-diamine
CID 112935835
2-N-[3-(dimethylamino)propyl]-4-N-[(2-methylphenyl)methyl]-6-phenylpyrimidine-2,4-diamine
CID 112936165
4-N-[2-(dimethylamino)ethyl]-2-N-[(3-methylphenyl)methyl]-6-phenylpyrimidine-2,4-diamine
CID 112935791
4-N-[3-(dimethylamino)propyl]-2-N-(2,5-dimethylphenyl)-6-phenylpyrimidine-2,4-diamine
CID 112936116
4-N-(2-chlorophenyl)-2-N-[2-(dimethylamino)ethyl]-6-methylpyrimidine-2,4-diamine
CID 112913041
4-N-[2-(dimethylamino)ethyl]-2-N-(2-ethoxyphenyl)-6-phenylpyrimidine-2,4-diamine
CID 112935869
6-N-[2-(dimethylamino)ethyl]-4-N-(2-methylphenyl)pyrimidine-4,6-diamine
CID 112857443

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(dimethylamino)ethyl]-4-N-(2-methylphenyl)-6-phenylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-[2-(dimethylamino)ethyl]-4-N-(2-methylphenyl)-6-phenylpyrimidine-2,4-diamine (CID 112935950) is 2-N-[2-(dimethylamino)ethyl]-4-N-(2-methylphenyl)-6-phenylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-[2-(dimethylamino)ethyl]-4-N-(2-methylphenyl)-6-phenylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-[2-(dimethylamino)ethyl]-4-N-(2-methylphenyl)-6-phenylpyrimidine-2,4-diamine is Cc1ccccc1Nc1cc(-c2ccccc2)nc(NCCN(C)C)n1.
What is the InChIKey of 2-N-[2-(dimethylamino)ethyl]-4-N-(2-methylphenyl)-6-phenylpyrimidine-2,4-diamine?
The InChIKey is LACCJUYOYYPICV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5/c1-16-9-7-8-12-18(16)23-20-15-19(17-10-5-4-6-11-17)24-21(25-20)22-13-14-26(2)3/h4-12,15H,13-14H2,1-3H3,(H2,22,23,24,25).
What are the key properties of 2-N-[2-(dimethylamino)ethyl]-4-N-(2-methylphenyl)-6-phenylpyrimidine-2,4-diamine?
2-N-[2-(dimethylamino)ethyl]-4-N-(2-methylphenyl)-6-phenylpyrimidine-2,4-diamine has a molecular weight of 347.47 g/mol, XLogP of 4.17, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(dimethylamino)ethyl]-4-N-(2-methylphenyl)-6-phenylpyrimidine-2,4-diamine is sourced from PubChem (CID 112935950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).