4-N-[2-(dimethylamino)ethyl]-2-N-(3,4-dimethylphenyl)pyrimidine-2,4-diamine

C16H23N5 — CID 23653412

IUPAC4-N-[2-(dimethylamino)ethyl]-2-N-(3,4-dimethylphenyl)pyrimidine-2,4-diamine
SMILESCc1ccc(Nc2nccc(NCCN(C)C)n2)cc1C
InChIInChI=1S/C16H23N5/c1-12-5-6-14(11-13(12)2)19-16-18-8-7-15(20-16)17-9-10-21(3)4/h5-8,11H,9-10H2,1-4H3,(H2,17,18,19,20)
InChIKeyUFNFVKSIQSTBFU-UHFFFAOYSA-N
MW285.40 g/mol
LogP2.81
Rot. Bonds6

About 4-N-[2-(dimethylamino)ethyl]-2-N-(3,4-dimethylphenyl)pyrimidine-2,4-diamine

4-N-[2-(dimethylamino)ethyl]-2-N-(3,4-dimethylphenyl)pyrimidine-2,4-diamine (PubChem CID 23653412) has the molecular formula C16H23N5 and a molecular weight of 285.40 g/mol. Its IUPAC name is 4-N-[2-(dimethylamino)ethyl]-2-N-(3,4-dimethylphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[2-(dimethylamino)ethyl]-2-N-(3,4-dimethylphenyl)pyrimidine-2,4-diamine
PubChem CID23653412
Molecular FormulaC16H23N5
Molecular Weight285.40 g/mol
Exact Mass285.20
IUPAC Name4-N-[2-(dimethylamino)ethyl]-2-N-(3,4-dimethylphenyl)pyrimidine-2,4-diamine
SMILESCc1ccc(Nc2nccc(NCCN(C)C)n2)cc1C
InChIInChI=1S/C16H23N5/c1-12-5-6-14(11-13(12)2)19-16-18-8-7-15(20-16)17-9-10-21(3)4/h5-8,11H,9-10H2,1-4H3,(H2,17,18,19,20)
InChIKeyUFNFVKSIQSTBFU-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

2-N-(3-chlorophenyl)-4-N-[2-(dimethylamino)ethyl]pyrimidine-2,4-diamine
CID 23652519
2-N,4-N-bis(3,4-dimethylphenyl)pyrimidine-2,4-diamine;hydrochloride
CID 71671107
2-N-(3,4-dimethylphenyl)-4-N-(3-methoxypropyl)pyrimidine-2,4-diamine
CID 112886076
4-N-[3-(dimethylamino)propyl]-2-N-(4-methylphenyl)pyrimidine-2,4-diamine
CID 23653485
4-N-(3-bromo-4-methylphenyl)-2-N-[2-(dimethylamino)ethyl]pyrimidine-2,4-diamine
CID 112887204
4-N-[2-(4-chlorophenyl)ethyl]-2-N-(3,4-dimethylphenyl)pyrimidine-2,4-diamine
CID 112897068
4-N-[3-(dimethylamino)propyl]-2-N-(3-methylphenyl)pyrimidine-2,4-diamine
CID 91504160
4-N-[(4-chlorophenyl)methyl]-2-N-(3,4-dimethylphenyl)pyrimidine-2,4-diamine
CID 112891930
2-N-(3,4-dimethylphenyl)-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 112887341
4-N-[3-(dimethylamino)propyl]-2-N-(4-ethylphenyl)pyrimidine-2,4-diamine
CID 112887656
2-N-(3-chloro-4-methylphenyl)-4-N-propylpyrimidine-2,4-diamine
CID 112881848
2-N-(3-bromo-4-methylphenyl)-4-N-propylpyrimidine-2,4-diamine
CID 112881854

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(dimethylamino)ethyl]-2-N-(3,4-dimethylphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-[2-(dimethylamino)ethyl]-2-N-(3,4-dimethylphenyl)pyrimidine-2,4-diamine (CID 23653412) is 4-N-[2-(dimethylamino)ethyl]-2-N-(3,4-dimethylphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[2-(dimethylamino)ethyl]-2-N-(3,4-dimethylphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[2-(dimethylamino)ethyl]-2-N-(3,4-dimethylphenyl)pyrimidine-2,4-diamine is Cc1ccc(Nc2nccc(NCCN(C)C)n2)cc1C.
What is the InChIKey of 4-N-[2-(dimethylamino)ethyl]-2-N-(3,4-dimethylphenyl)pyrimidine-2,4-diamine?
The InChIKey is UFNFVKSIQSTBFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5/c1-12-5-6-14(11-13(12)2)19-16-18-8-7-15(20-16)17-9-10-21(3)4/h5-8,11H,9-10H2,1-4H3,(H2,17,18,19,20).
What are the key properties of 4-N-[2-(dimethylamino)ethyl]-2-N-(3,4-dimethylphenyl)pyrimidine-2,4-diamine?
4-N-[2-(dimethylamino)ethyl]-2-N-(3,4-dimethylphenyl)pyrimidine-2,4-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 4-N-[2-(dimethylamino)ethyl]-2-N-(3,4-dimethylphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 23653412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).