2-(3,5-dichlorophenyl)-6-propan-2-yl-N-propylpyrimidin-4-amine

C16H19Cl2N3 — CID 63480501

IUPAC2-(3,5-dichlorophenyl)-6-propan-2-yl-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(C(C)C)nc(-c2cc(Cl)cc(Cl)c2)n1
InChIInChI=1S/C16H19Cl2N3/c1-4-5-19-15-9-14(10(2)3)20-16(21-15)11-6-12(17)8-13(18)7-11/h6-10H,4-5H2,1-3H3,(H,19,20,21)
InChIKeyYNXWGHANEWDRHY-UHFFFAOYSA-N
MW324.26 g/mol
LogP5.40
Rot. Bonds5

About 2-(3,5-dichlorophenyl)-6-propan-2-yl-N-propylpyrimidin-4-amine

2-(3,5-dichlorophenyl)-6-propan-2-yl-N-propylpyrimidin-4-amine (PubChem CID 63480501) has the molecular formula C16H19Cl2N3 and a molecular weight of 324.26 g/mol. Its IUPAC name is 2-(3,5-dichlorophenyl)-6-propan-2-yl-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(3,5-dichlorophenyl)-6-propan-2-yl-N-propylpyrimidin-4-amine
PubChem CID63480501
Molecular FormulaC16H19Cl2N3
Molecular Weight324.26 g/mol
Exact Mass323.10
IUPAC Name2-(3,5-dichlorophenyl)-6-propan-2-yl-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(C(C)C)nc(-c2cc(Cl)cc(Cl)c2)n1
InChIInChI=1S/C16H19Cl2N3/c1-4-5-19-15-9-14(10(2)3)20-16(21-15)11-6-12(17)8-13(18)7-11/h6-10H,4-5H2,1-3H3,(H,19,20,21)
InChIKeyYNXWGHANEWDRHY-UHFFFAOYSA-N
XLogP5.40
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.26
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorothiophen-2-yl)-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 79427543
2-(3-bromo-5-fluorophenyl)-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 66424690
2-(2-bromo-5-chlorophenyl)-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 66158959
N-ethyl-6-propan-2-yl-2-(4-propan-2-ylphenyl)pyrimidin-4-amine
CID 63485062
2-N,2-N-diethyl-6-propan-2-yl-4-N-propylpyrimidine-2,4-diamine
CID 62190765
N-ethyl-2-phenyl-6-propan-2-ylpyrimidin-4-amine
CID 62191461
2-(methoxymethyl)-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 62190414
2-(2-methylcyclopropyl)-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 65419575
2-(4-ethylcyclohexyl)-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 65391131
2-(tert-butylsulfanylmethyl)-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 65138244
2-benzyl-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 63485421
2-[(4-methylphenyl)methyl]-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 63485245

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dichlorophenyl)-6-propan-2-yl-N-propylpyrimidin-4-amine?
The IUPAC name of 2-(3,5-dichlorophenyl)-6-propan-2-yl-N-propylpyrimidin-4-amine (CID 63480501) is 2-(3,5-dichlorophenyl)-6-propan-2-yl-N-propylpyrimidin-4-amine.
What is the SMILES notation for 2-(3,5-dichlorophenyl)-6-propan-2-yl-N-propylpyrimidin-4-amine?
The canonical SMILES for 2-(3,5-dichlorophenyl)-6-propan-2-yl-N-propylpyrimidin-4-amine is CCCNc1cc(C(C)C)nc(-c2cc(Cl)cc(Cl)c2)n1.
What is the InChIKey of 2-(3,5-dichlorophenyl)-6-propan-2-yl-N-propylpyrimidin-4-amine?
The InChIKey is YNXWGHANEWDRHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19Cl2N3/c1-4-5-19-15-9-14(10(2)3)20-16(21-15)11-6-12(17)8-13(18)7-11/h6-10H,4-5H2,1-3H3,(H,19,20,21).
What are the key properties of 2-(3,5-dichlorophenyl)-6-propan-2-yl-N-propylpyrimidin-4-amine?
2-(3,5-dichlorophenyl)-6-propan-2-yl-N-propylpyrimidin-4-amine has a molecular weight of 324.26 g/mol, XLogP of 5.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dichlorophenyl)-6-propan-2-yl-N-propylpyrimidin-4-amine is sourced from PubChem (CID 63480501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).