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

C15H21N5 — CID 112887032

IUPAC4-N-[2-(dimethylamino)ethyl]-2-N-methyl-2-N-phenylpyrimidine-2,4-diamine
SMILESCN(C)CCNc1ccnc(N(C)c2ccccc2)n1
InChIInChI=1S/C15H21N5/c1-19(2)12-11-16-14-9-10-17-15(18-14)20(3)13-7-5-4-6-8-13/h4-10H,11-12H2,1-3H3,(H,16,17,18)
InChIKeySOSXTVUYDVJVGW-UHFFFAOYSA-N
MW271.37 g/mol
LogP2.22
Rot. Bonds6

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

4-N-[2-(dimethylamino)ethyl]-2-N-methyl-2-N-phenylpyrimidine-2,4-diamine (PubChem CID 112887032) has the molecular formula C15H21N5 and a molecular weight of 271.37 g/mol. Its IUPAC name is 4-N-[2-(dimethylamino)ethyl]-2-N-methyl-2-N-phenylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[2-(dimethylamino)ethyl]-2-N-methyl-2-N-phenylpyrimidine-2,4-diamine
PubChem CID112887032
Molecular FormulaC15H21N5
Molecular Weight271.37 g/mol
Exact Mass271.18
IUPAC Name4-N-[2-(dimethylamino)ethyl]-2-N-methyl-2-N-phenylpyrimidine-2,4-diamine
SMILESCN(C)CCNc1ccnc(N(C)c2ccccc2)n1
InChIInChI=1S/C15H21N5/c1-19(2)12-11-16-14-9-10-17-15(18-14)20(3)13-7-5-4-6-8-13/h4-10H,11-12H2,1-3H3,(H,16,17,18)
InChIKeySOSXTVUYDVJVGW-UHFFFAOYSA-N
XLogP2.22
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.37
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-methyl-4-N-(3-methylbutyl)-2-N-phenylpyrimidine-2,4-diamine
CID 112900151
4-N-[3-(dimethylamino)propyl]-2-N,6-dimethyl-2-N-phenylpyrimidine-2,4-diamine
CID 112913498
N-[3-(dimethylamino)propyl]-2-(N-methylanilino)pyrimidine-4-carboxamide
CID 109301923
4-N-(4-ethoxyphenyl)-2-N-methyl-2-N-phenylpyrimidine-2,4-diamine
CID 112902126
2-N-methyl-4-N-(4-phenoxyphenyl)-2-N-phenylpyrimidine-2,4-diamine
CID 112902142
4-N-(2-ethyl-6-methylphenyl)-2-N-methyl-2-N-phenylpyrimidine-2,4-diamine
CID 112902119
4-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-N,2-N-dimethylpyrimidine-2,4-diamine
CID 64830672
2-N,2-N-dimethyl-4-N-(2-phenylsulfanylethyl)pyrimidine-2,4-diamine
CID 64831051
2-N-[2-(dimethylamino)ethyl]-4-N-(4-phenoxyphenyl)pyrimidine-2,4-diamine
CID 112887236
2-N-ethyl-4-N-[2-(4-methoxyphenyl)ethyl]-2-N-phenylpyrimidine-2,4-diamine
CID 112895391
4-N-[4-(diethylamino)-2-methylphenyl]-2-N-methyl-2-N-phenylpyrimidine-2,4-diamine
CID 112902163
4-N-[3-(dimethylamino)propyl]-2-N-(4-phenoxyphenyl)pyrimidine-2,4-diamine
CID 112887704

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(dimethylamino)ethyl]-2-N-methyl-2-N-phenylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-[2-(dimethylamino)ethyl]-2-N-methyl-2-N-phenylpyrimidine-2,4-diamine (CID 112887032) is 4-N-[2-(dimethylamino)ethyl]-2-N-methyl-2-N-phenylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[2-(dimethylamino)ethyl]-2-N-methyl-2-N-phenylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[2-(dimethylamino)ethyl]-2-N-methyl-2-N-phenylpyrimidine-2,4-diamine is CN(C)CCNc1ccnc(N(C)c2ccccc2)n1.
What is the InChIKey of 4-N-[2-(dimethylamino)ethyl]-2-N-methyl-2-N-phenylpyrimidine-2,4-diamine?
The InChIKey is SOSXTVUYDVJVGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5/c1-19(2)12-11-16-14-9-10-17-15(18-14)20(3)13-7-5-4-6-8-13/h4-10H,11-12H2,1-3H3,(H,16,17,18).
What are the key properties of 4-N-[2-(dimethylamino)ethyl]-2-N-methyl-2-N-phenylpyrimidine-2,4-diamine?
4-N-[2-(dimethylamino)ethyl]-2-N-methyl-2-N-phenylpyrimidine-2,4-diamine has a molecular weight of 271.37 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(dimethylamino)ethyl]-2-N-methyl-2-N-phenylpyrimidine-2,4-diamine is sourced from PubChem (CID 112887032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).