2-N-tert-butyl-4-N-(2,5-dichlorophenyl)pyrimidine-2,4-diamine

C14H16Cl2N4 — CID 112899847

IUPAC2-N-tert-butyl-4-N-(2,5-dichlorophenyl)pyrimidine-2,4-diamine
SMILESCC(C)(C)Nc1nccc(Nc2cc(Cl)ccc2Cl)n1
InChIInChI=1S/C14H16Cl2N4/c1-14(2,3)20-13-17-7-6-12(19-13)18-11-8-9(15)4-5-10(11)16/h4-8H,1-3H3,(H2,17,18,19,20)
InChIKeySQAIVEOKZVCWRP-UHFFFAOYSA-N
MW311.22 g/mol
LogP4.74
Rot. Bonds3

About 2-N-tert-butyl-4-N-(2,5-dichlorophenyl)pyrimidine-2,4-diamine

2-N-tert-butyl-4-N-(2,5-dichlorophenyl)pyrimidine-2,4-diamine (PubChem CID 112899847) has the molecular formula C14H16Cl2N4 and a molecular weight of 311.22 g/mol. Its IUPAC name is 2-N-tert-butyl-4-N-(2,5-dichlorophenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-tert-butyl-4-N-(2,5-dichlorophenyl)pyrimidine-2,4-diamine
PubChem CID112899847
Molecular FormulaC14H16Cl2N4
Molecular Weight311.22 g/mol
Exact Mass310.08
IUPAC Name2-N-tert-butyl-4-N-(2,5-dichlorophenyl)pyrimidine-2,4-diamine
SMILESCC(C)(C)Nc1nccc(Nc2cc(Cl)ccc2Cl)n1
InChIInChI=1S/C14H16Cl2N4/c1-14(2,3)20-13-17-7-6-12(19-13)18-11-8-9(15)4-5-10(11)16/h4-8H,1-3H3,(H2,17,18,19,20)
InChIKeySQAIVEOKZVCWRP-UHFFFAOYSA-N
XLogP4.74
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
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

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Related Compounds

4-N-(2,5-dichlorophenyl)-2-N-ethylpyrimidine-2,4-diamine
CID 80768406
4-N-(2,5-dichlorophenyl)-2-N-propylpyrimidine-2,4-diamine
CID 80769305
2-N-tert-butyl-4-N-(3,4-dichlorophenyl)pyrimidine-2,4-diamine
CID 112899845
4-N-tert-butyl-2-N-(2,4-dichlorophenyl)pyrimidine-2,4-diamine
CID 112899779
2-N-(3-chloro-4-methoxyphenyl)-4-N-(2,5-dichlorophenyl)pyrimidine-2,4-diamine
CID 112904331
4-N-(2,5-dichlorophenyl)-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112893652
2-N-(2,5-dichlorophenyl)-4-N-(3,4-difluorophenyl)pyrimidine-2,4-diamine
CID 112906684
4-[[4-(2,5-dichloroanilino)pyrimidin-2-yl]amino]benzonitrile
CID 112906674
2-N-(2,5-dichlorophenyl)-4-N-quinolin-8-ylpyrimidine-2,4-diamine
CID 112906494
4-N-(2,5-dichlorophenyl)-2-N-(2-methoxy-5-methylphenyl)pyrimidine-2,4-diamine
CID 112905091
4-N-tert-butyl-2-N-(3,4-dichlorophenyl)pyrimidine-2,4-diamine
CID 112899778
1-[3-[[4-(2,5-dichloroanilino)pyrimidin-2-yl]amino]phenyl]ethanone
CID 112905650

Frequently Asked Questions

What is the IUPAC name of 2-N-tert-butyl-4-N-(2,5-dichlorophenyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-tert-butyl-4-N-(2,5-dichlorophenyl)pyrimidine-2,4-diamine (CID 112899847) is 2-N-tert-butyl-4-N-(2,5-dichlorophenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-tert-butyl-4-N-(2,5-dichlorophenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-tert-butyl-4-N-(2,5-dichlorophenyl)pyrimidine-2,4-diamine is CC(C)(C)Nc1nccc(Nc2cc(Cl)ccc2Cl)n1.
What is the InChIKey of 2-N-tert-butyl-4-N-(2,5-dichlorophenyl)pyrimidine-2,4-diamine?
The InChIKey is SQAIVEOKZVCWRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2N4/c1-14(2,3)20-13-17-7-6-12(19-13)18-11-8-9(15)4-5-10(11)16/h4-8H,1-3H3,(H2,17,18,19,20).
What are the key properties of 2-N-tert-butyl-4-N-(2,5-dichlorophenyl)pyrimidine-2,4-diamine?
2-N-tert-butyl-4-N-(2,5-dichlorophenyl)pyrimidine-2,4-diamine has a molecular weight of 311.22 g/mol, XLogP of 4.74, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-tert-butyl-4-N-(2,5-dichlorophenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112899847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).