2-N-(2,6-dichlorophenyl)-4-N,4-N-diethylpyrimidine-2,4-diamine

C14H16Cl2N4 — CID 112899170

IUPAC2-N-(2,6-dichlorophenyl)-4-N,4-N-diethylpyrimidine-2,4-diamine
SMILESCCN(CC)c1ccnc(Nc2c(Cl)cccc2Cl)n1
InChIInChI=1S/C14H16Cl2N4/c1-3-20(4-2)12-8-9-17-14(18-12)19-13-10(15)6-5-7-11(13)16/h5-9H,3-4H2,1-2H3,(H,17,18,19)
InChIKeyVNKLGPZAAKIDMJ-UHFFFAOYSA-N
MW311.22 g/mol
LogP4.37
Rot. Bonds5

About 2-N-(2,6-dichlorophenyl)-4-N,4-N-diethylpyrimidine-2,4-diamine

2-N-(2,6-dichlorophenyl)-4-N,4-N-diethylpyrimidine-2,4-diamine (PubChem CID 112899170) has the molecular formula C14H16Cl2N4 and a molecular weight of 311.22 g/mol. Its IUPAC name is 2-N-(2,6-dichlorophenyl)-4-N,4-N-diethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(2,6-dichlorophenyl)-4-N,4-N-diethylpyrimidine-2,4-diamine
PubChem CID112899170
Molecular FormulaC14H16Cl2N4
Molecular Weight311.22 g/mol
Exact Mass310.08
IUPAC Name2-N-(2,6-dichlorophenyl)-4-N,4-N-diethylpyrimidine-2,4-diamine
SMILESCCN(CC)c1ccnc(Nc2c(Cl)cccc2Cl)n1
InChIInChI=1S/C14H16Cl2N4/c1-3-20(4-2)12-8-9-17-14(18-12)19-13-10(15)6-5-7-11(13)16/h5-9H,3-4H2,1-2H3,(H,17,18,19)
InChIKeyVNKLGPZAAKIDMJ-UHFFFAOYSA-N
XLogP4.37
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.22
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-N-(2,6-dichlorophenyl)-4-N,4-N-diethylpyrimidine-2,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-N-(2,3-dichlorophenyl)-4-N,4-N-diethylpyrimidine-2,4-diamine
CID 112899171
4-N-benzyl-2-N-(2,3-dichlorophenyl)-4-N-ethylpyrimidine-2,4-diamine
CID 112893004
2-N-(5-chloro-2-methylphenyl)-4-N,4-N-diethylpyrimidine-2,4-diamine
CID 112899106
2-N,4-N,4-N-triethylpyrimidine-2,4-diamine
CID 80766535
4-N-benzyl-2-N-(3,4-dichlorophenyl)-4-N-ethylpyrimidine-2,4-diamine
CID 112892999
2-N-(2,4-difluorophenyl)-4-N,4-N-diethylpyrimidine-2,4-diamine
CID 112899159
N-[4-[[4-(diethylamino)pyrimidin-2-yl]amino]phenyl]acetamide
CID 112899132
2-(2,6-dichloroanilino)pyrimidine-4-carbonitrile
CID 107544709
4-N-benzyl-4-N-ethyl-2-N-(2-fluorophenyl)pyrimidine-2,4-diamine
CID 112892945
4-N,4-N-diethyl-2-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112889893
4-N-(2,6-dichlorophenyl)-2-N,2-N-dipropylpyrimidine-2,4-diamine
CID 112901361
N-butan-2-yl-2-(2,6-dichloroanilino)pyrimidine-4-carboxamide
CID 109297451

Frequently Asked Questions

What is the IUPAC name of 2-N-(2,6-dichlorophenyl)-4-N,4-N-diethylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-(2,6-dichlorophenyl)-4-N,4-N-diethylpyrimidine-2,4-diamine (CID 112899170) is 2-N-(2,6-dichlorophenyl)-4-N,4-N-diethylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(2,6-dichlorophenyl)-4-N,4-N-diethylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(2,6-dichlorophenyl)-4-N,4-N-diethylpyrimidine-2,4-diamine is CCN(CC)c1ccnc(Nc2c(Cl)cccc2Cl)n1.
What is the InChIKey of 2-N-(2,6-dichlorophenyl)-4-N,4-N-diethylpyrimidine-2,4-diamine?
The InChIKey is VNKLGPZAAKIDMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2N4/c1-3-20(4-2)12-8-9-17-14(18-12)19-13-10(15)6-5-7-11(13)16/h5-9H,3-4H2,1-2H3,(H,17,18,19).
What are the key properties of 2-N-(2,6-dichlorophenyl)-4-N,4-N-diethylpyrimidine-2,4-diamine?
2-N-(2,6-dichlorophenyl)-4-N,4-N-diethylpyrimidine-2,4-diamine has a molecular weight of 311.22 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2,6-dichlorophenyl)-4-N,4-N-diethylpyrimidine-2,4-diamine is sourced from PubChem (CID 112899170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).