N-[(3,4-dichlorophenyl)methyl]-2-[4-(dimethylamino)phenyl]pyrimidin-4-amine

C19H18Cl2N4 — CID 44820582

IUPACN-[(3,4-dichlorophenyl)methyl]-2-[4-(dimethylamino)phenyl]pyrimidin-4-amine
SMILESCN(C)c1ccc(-c2nccc(NCc3ccc(Cl)c(Cl)c3)n2)cc1
InChIInChI=1S/C19H18Cl2N4/c1-25(2)15-6-4-14(5-7-15)19-22-10-9-18(24-19)23-12-13-3-8-16(20)17(21)11-13/h3-11H,12H2,1-2H3,(H,22,23,24)
InChIKeyBNRHRZBSOCGATL-UHFFFAOYSA-N
MW373.29 g/mol
LogP5.13
Rot. Bonds5

About N-[(3,4-dichlorophenyl)methyl]-2-[4-(dimethylamino)phenyl]pyrimidin-4-amine

N-[(3,4-dichlorophenyl)methyl]-2-[4-(dimethylamino)phenyl]pyrimidin-4-amine (PubChem CID 44820582) has the molecular formula C19H18Cl2N4 and a molecular weight of 373.29 g/mol. Its IUPAC name is N-[(3,4-dichlorophenyl)methyl]-2-[4-(dimethylamino)phenyl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(3,4-dichlorophenyl)methyl]-2-[4-(dimethylamino)phenyl]pyrimidin-4-amine
PubChem CID44820582
Molecular FormulaC19H18Cl2N4
Molecular Weight373.29 g/mol
Exact Mass372.09
IUPAC NameN-[(3,4-dichlorophenyl)methyl]-2-[4-(dimethylamino)phenyl]pyrimidin-4-amine
SMILESCN(C)c1ccc(-c2nccc(NCc3ccc(Cl)c(Cl)c3)n2)cc1
InChIInChI=1S/C19H18Cl2N4/c1-25(2)15-6-4-14(5-7-15)19-22-10-9-18(24-19)23-12-13-3-8-16(20)17(21)11-13/h3-11H,12H2,1-2H3,(H,22,23,24)
InChIKeyBNRHRZBSOCGATL-UHFFFAOYSA-N
XLogP5.13
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.29
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dichlorophenyl)methyl]-2-[4-(dimethylamino)phenyl]pyrimidin-4-amine?
The IUPAC name of N-[(3,4-dichlorophenyl)methyl]-2-[4-(dimethylamino)phenyl]pyrimidin-4-amine (CID 44820582) is N-[(3,4-dichlorophenyl)methyl]-2-[4-(dimethylamino)phenyl]pyrimidin-4-amine.
What is the SMILES notation for N-[(3,4-dichlorophenyl)methyl]-2-[4-(dimethylamino)phenyl]pyrimidin-4-amine?
The canonical SMILES for N-[(3,4-dichlorophenyl)methyl]-2-[4-(dimethylamino)phenyl]pyrimidin-4-amine is CN(C)c1ccc(-c2nccc(NCc3ccc(Cl)c(Cl)c3)n2)cc1.
What is the InChIKey of N-[(3,4-dichlorophenyl)methyl]-2-[4-(dimethylamino)phenyl]pyrimidin-4-amine?
The InChIKey is BNRHRZBSOCGATL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2N4/c1-25(2)15-6-4-14(5-7-15)19-22-10-9-18(24-19)23-12-13-3-8-16(20)17(21)11-13/h3-11H,12H2,1-2H3,(H,22,23,24).
What are the key properties of N-[(3,4-dichlorophenyl)methyl]-2-[4-(dimethylamino)phenyl]pyrimidin-4-amine?
N-[(3,4-dichlorophenyl)methyl]-2-[4-(dimethylamino)phenyl]pyrimidin-4-amine has a molecular weight of 373.29 g/mol, XLogP of 5.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dichlorophenyl)methyl]-2-[4-(dimethylamino)phenyl]pyrimidin-4-amine is sourced from PubChem (CID 44820582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).