5-(aminomethyl)-6-(2,4-dichlorophenyl)-2-phenylpyrimidin-4-amine

C17H14Cl2N4 — CID 11688776

IUPAC5-(aminomethyl)-6-(2,4-dichlorophenyl)-2-phenylpyrimidin-4-amine
SMILESNCc1c(N)nc(-c2ccccc2)nc1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H14Cl2N4/c18-11-6-7-12(14(19)8-11)15-13(9-20)16(21)23-17(22-15)10-4-2-1-3-5-10/h1-8H,9,20H2,(H2,21,22,23)
InChIKeyCTFXGZSHNLIYDI-UHFFFAOYSA-N
MW345.23 g/mol
LogP4.16
Rot. Bonds3

About 5-(aminomethyl)-6-(2,4-dichlorophenyl)-2-phenylpyrimidin-4-amine

5-(aminomethyl)-6-(2,4-dichlorophenyl)-2-phenylpyrimidin-4-amine (PubChem CID 11688776) has the molecular formula C17H14Cl2N4 and a molecular weight of 345.23 g/mol. Its IUPAC name is 5-(aminomethyl)-6-(2,4-dichlorophenyl)-2-phenylpyrimidin-4-amine.

Molecular Properties

Compound Name5-(aminomethyl)-6-(2,4-dichlorophenyl)-2-phenylpyrimidin-4-amine
PubChem CID11688776
Molecular FormulaC17H14Cl2N4
Molecular Weight345.23 g/mol
Exact Mass344.06
IUPAC Name5-(aminomethyl)-6-(2,4-dichlorophenyl)-2-phenylpyrimidin-4-amine
SMILESNCc1c(N)nc(-c2ccccc2)nc1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H14Cl2N4/c18-11-6-7-12(14(19)8-11)15-13(9-20)16(21)23-17(22-15)10-4-2-1-3-5-10/h1-8H,9,20H2,(H2,21,22,23)
InChIKeyCTFXGZSHNLIYDI-UHFFFAOYSA-N
XLogP4.16
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.23
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

CID 4993
CID 4993
CID 24466
CID 24466
CID 29142
CID 29142
CID 134531
CID 134531
CID 25098114
CID 25098114
CID 582041
CID 582041
CID 9974420
CID 9974420
CID 10060600
CID 10060600
CID 10126186
CID 10126186
CID 10172375
CID 10172375
CID 10286977
CID 10286977
CID 13926968
CID 13926968

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-6-(2,4-dichlorophenyl)-2-phenylpyrimidin-4-amine?
The IUPAC name of 5-(aminomethyl)-6-(2,4-dichlorophenyl)-2-phenylpyrimidin-4-amine (CID 11688776) is 5-(aminomethyl)-6-(2,4-dichlorophenyl)-2-phenylpyrimidin-4-amine.
What is the SMILES notation for 5-(aminomethyl)-6-(2,4-dichlorophenyl)-2-phenylpyrimidin-4-amine?
The canonical SMILES for 5-(aminomethyl)-6-(2,4-dichlorophenyl)-2-phenylpyrimidin-4-amine is NCc1c(N)nc(-c2ccccc2)nc1-c1ccc(Cl)cc1Cl.
What is the InChIKey of 5-(aminomethyl)-6-(2,4-dichlorophenyl)-2-phenylpyrimidin-4-amine?
The InChIKey is CTFXGZSHNLIYDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N4/c18-11-6-7-12(14(19)8-11)15-13(9-20)16(21)23-17(22-15)10-4-2-1-3-5-10/h1-8H,9,20H2,(H2,21,22,23).
What are the key properties of 5-(aminomethyl)-6-(2,4-dichlorophenyl)-2-phenylpyrimidin-4-amine?
5-(aminomethyl)-6-(2,4-dichlorophenyl)-2-phenylpyrimidin-4-amine has a molecular weight of 345.23 g/mol, XLogP of 4.16, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-6-(2,4-dichlorophenyl)-2-phenylpyrimidin-4-amine is sourced from PubChem (CID 11688776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).