6-N-[2-(dimethylamino)ethyl]-4-N-(2,5-dimethylphenyl)pyrimidine-4,6-diamine

C16H23N5 — CID 112857450

IUPAC6-N-[2-(dimethylamino)ethyl]-4-N-(2,5-dimethylphenyl)pyrimidine-4,6-diamine
SMILESCc1ccc(C)c(Nc2cc(NCCN(C)C)ncn2)c1
InChIInChI=1S/C16H23N5/c1-12-5-6-13(2)14(9-12)20-16-10-15(18-11-19-16)17-7-8-21(3)4/h5-6,9-11H,7-8H2,1-4H3,(H2,17,18,19,20)
InChIKeyCTYDQAOODOEWSF-UHFFFAOYSA-N
MW285.40 g/mol
LogP2.81
Rot. Bonds6

About 6-N-[2-(dimethylamino)ethyl]-4-N-(2,5-dimethylphenyl)pyrimidine-4,6-diamine

6-N-[2-(dimethylamino)ethyl]-4-N-(2,5-dimethylphenyl)pyrimidine-4,6-diamine (PubChem CID 112857450) has the molecular formula C16H23N5 and a molecular weight of 285.40 g/mol. Its IUPAC name is 6-N-[2-(dimethylamino)ethyl]-4-N-(2,5-dimethylphenyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-[2-(dimethylamino)ethyl]-4-N-(2,5-dimethylphenyl)pyrimidine-4,6-diamine
PubChem CID112857450
Molecular FormulaC16H23N5
Molecular Weight285.40 g/mol
Exact Mass285.20
IUPAC Name6-N-[2-(dimethylamino)ethyl]-4-N-(2,5-dimethylphenyl)pyrimidine-4,6-diamine
SMILESCc1ccc(C)c(Nc2cc(NCCN(C)C)ncn2)c1
InChIInChI=1S/C16H23N5/c1-12-5-6-13(2)14(9-12)20-16-10-15(18-11-19-16)17-7-8-21(3)4/h5-6,9-11H,7-8H2,1-4H3,(H2,17,18,19,20)
InChIKeyCTYDQAOODOEWSF-UHFFFAOYSA-N
XLogP2.81
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.40
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-N-[2-(dimethylamino)ethyl]-4-N-(2-methylphenyl)pyrimidine-4,6-diamine
CID 112857443
4-N-(2,5-dimethylphenyl)-6-N-pentylpyrimidine-4,6-diamine
CID 112864104
4-N-(2,5-dimethylphenyl)-6-N-(2-phenylethyl)pyrimidine-4,6-diamine
CID 112861082
N-(2,5-dimethylphenyl)-N',N'-dimethylethane-1,2-diamine
CID 28585840
6-N-benzyl-4-N-(2,5-dimethylphenyl)pyrimidine-4,6-diamine
CID 112858790
4-N-(2,5-dimethylphenyl)-6-N-[2-(2-fluorophenyl)ethyl]pyrimidine-4,6-diamine
CID 112861313
4-N-(4-chloro-2-methoxy-5-methylphenyl)-6-N-[2-(dimethylamino)ethyl]pyrimidine-4,6-diamine
CID 112857539
4-N-(2,5-dimethylphenyl)-6-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-4,6-diamine
CID 112861718
4-N-(4-tert-butylphenyl)-6-N-[2-(dimethylamino)ethyl]pyrimidine-4,6-diamine
CID 112857465
6-N-[2-(dimethylamino)ethyl]-4-N-[(3-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 112857378
N',N'-dimethyl-N-(6-methylpyrimidin-4-yl)ethane-1,2-diamine
CID 61225693
6-N-[3-(dimethylamino)propyl]-4-N-(2,4,6-trimethylphenyl)pyrimidine-4,6-diamine
CID 112857808

Frequently Asked Questions

What is the IUPAC name of 6-N-[2-(dimethylamino)ethyl]-4-N-(2,5-dimethylphenyl)pyrimidine-4,6-diamine?
The IUPAC name of 6-N-[2-(dimethylamino)ethyl]-4-N-(2,5-dimethylphenyl)pyrimidine-4,6-diamine (CID 112857450) is 6-N-[2-(dimethylamino)ethyl]-4-N-(2,5-dimethylphenyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-[2-(dimethylamino)ethyl]-4-N-(2,5-dimethylphenyl)pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-[2-(dimethylamino)ethyl]-4-N-(2,5-dimethylphenyl)pyrimidine-4,6-diamine is Cc1ccc(C)c(Nc2cc(NCCN(C)C)ncn2)c1.
What is the InChIKey of 6-N-[2-(dimethylamino)ethyl]-4-N-(2,5-dimethylphenyl)pyrimidine-4,6-diamine?
The InChIKey is CTYDQAOODOEWSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5/c1-12-5-6-13(2)14(9-12)20-16-10-15(18-11-19-16)17-7-8-21(3)4/h5-6,9-11H,7-8H2,1-4H3,(H2,17,18,19,20).
What are the key properties of 6-N-[2-(dimethylamino)ethyl]-4-N-(2,5-dimethylphenyl)pyrimidine-4,6-diamine?
6-N-[2-(dimethylamino)ethyl]-4-N-(2,5-dimethylphenyl)pyrimidine-4,6-diamine has a molecular weight of 285.40 g/mol, XLogP of 2.81, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[2-(dimethylamino)ethyl]-4-N-(2,5-dimethylphenyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 112857450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).