4-N-butan-2-yl-2-N-(2,5-dichlorophenyl)pyrimidine-2,4-diamine

C14H16Cl2N4 — CID 112883648

IUPAC4-N-butan-2-yl-2-N-(2,5-dichlorophenyl)pyrimidine-2,4-diamine
SMILESCCC(C)Nc1ccnc(Nc2cc(Cl)ccc2Cl)n1
InChIInChI=1S/C14H16Cl2N4/c1-3-9(2)18-13-6-7-17-14(20-13)19-12-8-10(15)4-5-11(12)16/h4-9H,3H2,1-2H3,(H2,17,18,19,20)
InChIKeyHWEXWJWATVCZJM-UHFFFAOYSA-N
MW311.22 g/mol
LogP4.74
Rot. Bonds5

About 4-N-butan-2-yl-2-N-(2,5-dichlorophenyl)pyrimidine-2,4-diamine

4-N-butan-2-yl-2-N-(2,5-dichlorophenyl)pyrimidine-2,4-diamine (PubChem CID 112883648) has the molecular formula C14H16Cl2N4 and a molecular weight of 311.22 g/mol. Its IUPAC name is 4-N-butan-2-yl-2-N-(2,5-dichlorophenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-butan-2-yl-2-N-(2,5-dichlorophenyl)pyrimidine-2,4-diamine
PubChem CID112883648
Molecular FormulaC14H16Cl2N4
Molecular Weight311.22 g/mol
Exact Mass310.08
IUPAC Name4-N-butan-2-yl-2-N-(2,5-dichlorophenyl)pyrimidine-2,4-diamine
SMILESCCC(C)Nc1ccnc(Nc2cc(Cl)ccc2Cl)n1
InChIInChI=1S/C14H16Cl2N4/c1-3-9(2)18-13-6-7-17-14(20-13)19-12-8-10(15)4-5-11(12)16/h4-9H,3H2,1-2H3,(H2,17,18,19,20)
InChIKeyHWEXWJWATVCZJM-UHFFFAOYSA-N
XLogP4.74
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.22
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-N-butan-2-yl-2-N-(2,5-dichlorophenyl)pyrimidine-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

4-N-butan-2-yl-2-N-(4-chloro-2,5-dimethoxyphenyl)pyrimidine-2,4-diamine
CID 112883652
4-N-(2,5-dichlorophenyl)-2-N-ethylpyrimidine-2,4-diamine
CID 80768406
2-N,4-N-di(butan-2-yl)pyrimidine-2,4-diamine
CID 112883470
2-N-(5-chloro-2-methylphenyl)-4-N-propan-2-ylpyrimidine-2,4-diamine
CID 112882056
4-N-(2,5-dichlorophenyl)-2-N-propylpyrimidine-2,4-diamine
CID 80769305
2-N-(2,5-dichlorophenyl)-4-N-(3,4-difluorophenyl)pyrimidine-2,4-diamine
CID 112906684
2-N-(2,5-dichlorophenyl)-4-N-[4-(dimethylamino)butyl]pyrimidine-2,4-diamine
CID 91447813
2-N-tert-butyl-4-N-(2,5-dichlorophenyl)pyrimidine-2,4-diamine
CID 112899847
4-N-butan-2-yl-2-N-(4-propan-2-yloxyphenyl)pyrimidine-2,4-diamine
CID 112883602
N-(2,5-dichlorophenyl)-4-(trifluoromethyl)pyrimidin-2-amine
CID 154454877
2-N-(2,5-dichlorophenyl)-4-N-quinolin-8-ylpyrimidine-2,4-diamine
CID 112906494
4-N-butan-2-yl-2-N-[2-chloro-5-(trifluoromethyl)phenyl]-6-methylpyrimidine-2,4-diamine
CID 112908993

Frequently Asked Questions

What is the IUPAC name of 4-N-butan-2-yl-2-N-(2,5-dichlorophenyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-butan-2-yl-2-N-(2,5-dichlorophenyl)pyrimidine-2,4-diamine (CID 112883648) is 4-N-butan-2-yl-2-N-(2,5-dichlorophenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-butan-2-yl-2-N-(2,5-dichlorophenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-butan-2-yl-2-N-(2,5-dichlorophenyl)pyrimidine-2,4-diamine is CCC(C)Nc1ccnc(Nc2cc(Cl)ccc2Cl)n1.
What is the InChIKey of 4-N-butan-2-yl-2-N-(2,5-dichlorophenyl)pyrimidine-2,4-diamine?
The InChIKey is HWEXWJWATVCZJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2N4/c1-3-9(2)18-13-6-7-17-14(20-13)19-12-8-10(15)4-5-11(12)16/h4-9H,3H2,1-2H3,(H2,17,18,19,20).
What are the key properties of 4-N-butan-2-yl-2-N-(2,5-dichlorophenyl)pyrimidine-2,4-diamine?
4-N-butan-2-yl-2-N-(2,5-dichlorophenyl)pyrimidine-2,4-diamine has a molecular weight of 311.22 g/mol, XLogP of 4.74, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-butan-2-yl-2-N-(2,5-dichlorophenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112883648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).