6-(2,3-dichlorophenyl)-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine

C15H17Cl2N3 — CID 80975407

IUPAC6-(2,3-dichlorophenyl)-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine
SMILESCNc1nc(C(C)C)nc(-c2cccc(Cl)c2Cl)c1C
InChIInChI=1S/C15H17Cl2N3/c1-8(2)14-19-13(9(3)15(18-4)20-14)10-6-5-7-11(16)12(10)17/h5-8H,1-4H3,(H,18,19,20)
InChIKeyPSTRUWSZHNYGHR-UHFFFAOYSA-N
MW310.23 g/mol
LogP4.92
Rot. Bonds3

About 6-(2,3-dichlorophenyl)-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine

6-(2,3-dichlorophenyl)-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine (PubChem CID 80975407) has the molecular formula C15H17Cl2N3 and a molecular weight of 310.23 g/mol. Its IUPAC name is 6-(2,3-dichlorophenyl)-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(2,3-dichlorophenyl)-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine
PubChem CID80975407
Molecular FormulaC15H17Cl2N3
Molecular Weight310.23 g/mol
Exact Mass309.08
IUPAC Name6-(2,3-dichlorophenyl)-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine
SMILESCNc1nc(C(C)C)nc(-c2cccc(Cl)c2Cl)c1C
InChIInChI=1S/C15H17Cl2N3/c1-8(2)14-19-13(9(3)15(18-4)20-14)10-6-5-7-11(16)12(10)17/h5-8H,1-4H3,(H,18,19,20)
InChIKeyPSTRUWSZHNYGHR-UHFFFAOYSA-N
XLogP4.92
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.23
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(2-fluorophenyl)-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine
CID 80975357
6-(1-benzothiophen-7-yl)-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine
CID 81128376
N,5-dimethyl-6-(2-methylthiophen-3-yl)-2-propan-2-ylpyrimidin-4-amine
CID 102838545
4-chloro-6-(2,3-dimethylphenyl)-5-methyl-2-propan-2-ylpyrimidine
CID 80975464
6-(2,3-dichlorophenyl)-2-ethyl-5-methyl-N-propylpyrimidin-4-amine
CID 80970830
N,5-dimethyl-6-(3-methylphenyl)sulfanyl-2-propan-2-ylpyrimidin-4-amine
CID 80991106
6-(5-chloro-2-methylphenoxy)-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine
CID 80990394
4-N-(3-bromo-4-chlorophenyl)-6-N,5-dimethyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80992031
3-[5-methyl-6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]oxybenzonitrile
CID 80988952
6-(4-chloro-3-methylpyrazol-1-yl)-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine
CID 80988906
4-N-(2-iodophenyl)-6-N,5-dimethyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80976899
4-(2,3-dichlorophenyl)-2-propan-2-yl-1,3-thiazol-5-amine
CID 62075682

Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dichlorophenyl)-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 6-(2,3-dichlorophenyl)-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine (CID 80975407) is 6-(2,3-dichlorophenyl)-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-(2,3-dichlorophenyl)-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-(2,3-dichlorophenyl)-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine is CNc1nc(C(C)C)nc(-c2cccc(Cl)c2Cl)c1C.
What is the InChIKey of 6-(2,3-dichlorophenyl)-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine?
The InChIKey is PSTRUWSZHNYGHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl2N3/c1-8(2)14-19-13(9(3)15(18-4)20-14)10-6-5-7-11(16)12(10)17/h5-8H,1-4H3,(H,18,19,20).
What are the key properties of 6-(2,3-dichlorophenyl)-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine?
6-(2,3-dichlorophenyl)-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine has a molecular weight of 310.23 g/mol, XLogP of 4.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-dichlorophenyl)-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 80975407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).