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

C14H16Cl2N4 — CID 112899779

IUPAC4-N-tert-butyl-2-N-(2,4-dichlorophenyl)pyrimidine-2,4-diamine
SMILESCC(C)(C)Nc1ccnc(Nc2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C14H16Cl2N4/c1-14(2,3)20-12-6-7-17-13(19-12)18-11-5-4-9(15)8-10(11)16/h4-8H,1-3H3,(H2,17,18,19,20)
InChIKeySBSBTWHSWMJOIH-UHFFFAOYSA-N
MW311.22 g/mol
LogP4.74
Rot. Bonds3

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

4-N-tert-butyl-2-N-(2,4-dichlorophenyl)pyrimidine-2,4-diamine (PubChem CID 112899779) has the molecular formula C14H16Cl2N4 and a molecular weight of 311.22 g/mol. Its IUPAC name is 4-N-tert-butyl-2-N-(2,4-dichlorophenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-tert-butyl-2-N-(2,4-dichlorophenyl)pyrimidine-2,4-diamine
PubChem CID112899779
Molecular FormulaC14H16Cl2N4
Molecular Weight311.22 g/mol
Exact Mass310.08
IUPAC Name4-N-tert-butyl-2-N-(2,4-dichlorophenyl)pyrimidine-2,4-diamine
SMILESCC(C)(C)Nc1ccnc(Nc2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C14H16Cl2N4/c1-14(2,3)20-12-6-7-17-13(19-12)18-11-5-4-9(15)8-10(11)16/h4-8H,1-3H3,(H2,17,18,19,20)
InChIKeySBSBTWHSWMJOIH-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

2-N-tert-butyl-4-N-(2,5-dichlorophenyl)pyrimidine-2,4-diamine
CID 112899847
4-N-tert-butyl-2-N-(2,4-difluorophenyl)pyrimidine-2,4-diamine
CID 112899771
4-N-(2,4-dichlorophenyl)-2-N-(2,4-difluorophenyl)pyrimidine-2,4-diamine
CID 112906554
4-N-tert-butyl-2-N-(3,4-dichlorophenyl)pyrimidine-2,4-diamine
CID 112899778
4-N-tert-butyl-2-N-(4-chloro-2,5-dimethoxyphenyl)pyrimidine-2,4-diamine
CID 112899784
4-N-(2,4-dichlorophenyl)-2-N-(4-fluorophenyl)pyrimidine-2,4-diamine
CID 112903567
4-N-(2,4-dichlorophenyl)-2-N-[2-(dimethylamino)ethyl]pyrimidine-2,4-diamine
CID 112887250
4-N-(2,4-dichlorophenyl)-2-N-[(2-fluorophenyl)methyl]pyrimidine-2,4-diamine
CID 112891344
2-N-tert-butyl-4-N-(3,4-dichlorophenyl)pyrimidine-2,4-diamine
CID 112899845
4-N-tert-butyl-2-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine
CID 112899705
4-N-tert-butyl-2-N-[2-(4-chlorophenyl)ethyl]pyrimidine-2,4-diamine
CID 112897132
2-(2,4-dichloroanilino)-N-(3,5-dimethylphenyl)pyrimidine-4-carboxamide
CID 109315234

Frequently Asked Questions

What is the IUPAC name of 4-N-tert-butyl-2-N-(2,4-dichlorophenyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-tert-butyl-2-N-(2,4-dichlorophenyl)pyrimidine-2,4-diamine (CID 112899779) is 4-N-tert-butyl-2-N-(2,4-dichlorophenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-tert-butyl-2-N-(2,4-dichlorophenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-tert-butyl-2-N-(2,4-dichlorophenyl)pyrimidine-2,4-diamine is CC(C)(C)Nc1ccnc(Nc2ccc(Cl)cc2Cl)n1.
What is the InChIKey of 4-N-tert-butyl-2-N-(2,4-dichlorophenyl)pyrimidine-2,4-diamine?
The InChIKey is SBSBTWHSWMJOIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2N4/c1-14(2,3)20-12-6-7-17-13(19-12)18-11-5-4-9(15)8-10(11)16/h4-8H,1-3H3,(H2,17,18,19,20).
What are the key properties of 4-N-tert-butyl-2-N-(2,4-dichlorophenyl)pyrimidine-2,4-diamine?
4-N-tert-butyl-2-N-(2,4-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 4-N-tert-butyl-2-N-(2,4-dichlorophenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112899779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).