[5-amino-2-[2-(3,4-dichlorophenyl)ethylamino]pyrimidin-4-yl]-phenylazanium

C18H18Cl2N5+ — CID 143285107

IUPAC[5-amino-2-[2-(3,4-dichlorophenyl)ethylamino]pyrimidin-4-yl]-phenylazanium
SMILESNc1cnc(NCCc2ccc(Cl)c(Cl)c2)nc1[NH2+]c1ccccc1
InChIInChI=1S/C18H17Cl2N5/c19-14-7-6-12(10-15(14)20)8-9-22-18-23-11-16(21)17(25-18)24-13-4-2-1-3-5-13/h1-7,10-11H,8-9,21H2,(H2,22,23,24,25)/p+1
InChIKeySRUVEBZCPUYOHW-UHFFFAOYSA-O
MW375.28 g/mol
LogP3.55
Rot. Bonds6

About [5-amino-2-[2-(3,4-dichlorophenyl)ethylamino]pyrimidin-4-yl]-phenylazanium

[5-amino-2-[2-(3,4-dichlorophenyl)ethylamino]pyrimidin-4-yl]-phenylazanium (PubChem CID 143285107) has the molecular formula C18H18Cl2N5+ and a molecular weight of 375.28 g/mol. Its IUPAC name is [5-amino-2-[2-(3,4-dichlorophenyl)ethylamino]pyrimidin-4-yl]-phenylazanium.

Molecular Properties

Compound Name[5-amino-2-[2-(3,4-dichlorophenyl)ethylamino]pyrimidin-4-yl]-phenylazanium
PubChem CID143285107
Molecular FormulaC18H18Cl2N5+
Molecular Weight375.28 g/mol
Exact Mass374.09
IUPAC Name[5-amino-2-[2-(3,4-dichlorophenyl)ethylamino]pyrimidin-4-yl]-phenylazanium
SMILESNc1cnc(NCCc2ccc(Cl)c(Cl)c2)nc1[NH2+]c1ccccc1
InChIInChI=1S/C18H17Cl2N5/c19-14-7-6-12(10-15(14)20)8-9-22-18-23-11-16(21)17(25-18)24-13-4-2-1-3-5-13/h1-7,10-11H,8-9,21H2,(H2,22,23,24,25)/p+1
InChIKeySRUVEBZCPUYOHW-UHFFFAOYSA-O
XLogP3.55
TPSA80.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.28
LogP ≤ 53.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-fluoro-2-N-(2-phenylethyl)pyrimidine-2,4-diamine
CID 83712714
3-[[5-amino-2-[(3,4-dichlorophenyl)methylamino]pyrimidin-4-yl]amino]propanamide
CID 68540665
5-chloro-2-(2-phenylethylamino)pyrimidine-4-carboxylate
CID 2325047
N-[2-[[5-amino-2-[(3,4-dichlorophenyl)methylamino]pyrimidin-4-yl]amino]ethyl]methanesulfonamide
CID 68541096
N-(3,4-dichlorophenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide
CID 109259606
5-chloro-N-(3-phenylpropyl)pyrimidin-2-amine
CID 79557504
4,6-dihydrazinyl-N-(2-phenylethyl)pyrimidin-2-amine
CID 139976102
9-benzyl-2-N-(2-phenylethyl)purine-2,6-diamine
CID 18332703
3-(2,6-dichlorophenyl)-1-methyl-7-(2-phenylethylamino)-4H-pyrimido[4,5-d]pyrimidin-2-one
CID 22125088
6-bromo-2-N-[2-(4-chlorophenyl)ethyl]pyrimidine-2,4-diamine
CID 116795747
(7R)-7-(2-chlorophenyl)-2-(2-phenylethylamino)-7,8-dihydro-6H-quinazolin-5-one
CID 7342667
5-chloro-2-N-ethyl-4-N-[2-(3-fluorophenyl)ethyl]pyrimidine-2,4-diamine
CID 80788298

Frequently Asked Questions

What is the IUPAC name of [5-amino-2-[2-(3,4-dichlorophenyl)ethylamino]pyrimidin-4-yl]-phenylazanium?
The IUPAC name of [5-amino-2-[2-(3,4-dichlorophenyl)ethylamino]pyrimidin-4-yl]-phenylazanium (CID 143285107) is [5-amino-2-[2-(3,4-dichlorophenyl)ethylamino]pyrimidin-4-yl]-phenylazanium.
What is the SMILES notation for [5-amino-2-[2-(3,4-dichlorophenyl)ethylamino]pyrimidin-4-yl]-phenylazanium?
The canonical SMILES for [5-amino-2-[2-(3,4-dichlorophenyl)ethylamino]pyrimidin-4-yl]-phenylazanium is Nc1cnc(NCCc2ccc(Cl)c(Cl)c2)nc1[NH2+]c1ccccc1.
What is the InChIKey of [5-amino-2-[2-(3,4-dichlorophenyl)ethylamino]pyrimidin-4-yl]-phenylazanium?
The InChIKey is SRUVEBZCPUYOHW-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H17Cl2N5/c19-14-7-6-12(10-15(14)20)8-9-22-18-23-11-16(21)17(25-18)24-13-4-2-1-3-5-13/h1-7,10-11H,8-9,21H2,(H2,22,23,24,25)/p+1.
What are the key properties of [5-amino-2-[2-(3,4-dichlorophenyl)ethylamino]pyrimidin-4-yl]-phenylazanium?
[5-amino-2-[2-(3,4-dichlorophenyl)ethylamino]pyrimidin-4-yl]-phenylazanium has a molecular weight of 375.28 g/mol, XLogP of 3.55, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-amino-2-[2-(3,4-dichlorophenyl)ethylamino]pyrimidin-4-yl]-phenylazanium is sourced from PubChem (CID 143285107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).