N-(2-chloro-5-iodopyrimidin-4-yl)quinolin-6-amine

C13H8ClIN4 — CID 90052787

IUPACN-(2-chloro-5-iodopyrimidin-4-yl)quinolin-6-amine
SMILESClc1ncc(I)c(Nc2ccc3ncccc3c2)n1
InChIInChI=1S/C13H8ClIN4/c14-13-17-7-10(15)12(19-13)18-9-3-4-11-8(6-9)2-1-5-16-11/h1-7H,(H,17,18,19)
InChIKeyGWOQLAPNACHKDJ-UHFFFAOYSA-N
MW382.59 g/mol
LogP4.03
Rot. Bonds2

About N-(2-chloro-5-iodopyrimidin-4-yl)quinolin-6-amine

N-(2-chloro-5-iodopyrimidin-4-yl)quinolin-6-amine (PubChem CID 90052787) has the molecular formula C13H8ClIN4 and a molecular weight of 382.59 g/mol. Its IUPAC name is N-(2-chloro-5-iodopyrimidin-4-yl)quinolin-6-amine.

Molecular Properties

Compound NameN-(2-chloro-5-iodopyrimidin-4-yl)quinolin-6-amine
PubChem CID90052787
Molecular FormulaC13H8ClIN4
Molecular Weight382.59 g/mol
Exact Mass381.95
IUPAC NameN-(2-chloro-5-iodopyrimidin-4-yl)quinolin-6-amine
SMILESClc1ncc(I)c(Nc2ccc3ncccc3c2)n1
InChIInChI=1S/C13H8ClIN4/c14-13-17-7-10(15)12(19-13)18-9-3-4-11-8(6-9)2-1-5-16-11/h1-7H,(H,17,18,19)
InChIKeyGWOQLAPNACHKDJ-UHFFFAOYSA-N
XLogP4.03
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.59
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3,6-dichloro-1,2,4-triazin-5-yl)quinolin-6-amine
CID 81036767
2-(quinolin-6-ylamino)pyridin-3-ol
CID 139352880
2-N-quinolin-6-ylpyridine-2,3-diamine
CID 62634591
2-chloro-5-fluoro-N-naphthalen-2-ylpyrimidin-4-amine
CID 79081850
2-chloro-4-N-(quinolin-6-ylmethyl)pyrimidine-4,5-diamine
CID 59627820
N-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]quinolin-3-amine
CID 175858931
N-(1H-pyrrolo[2,3-b]pyridin-5-yl)quinolin-6-amine
CID 58087251
6-methoxy-2-N-quinolin-6-ylpyridine-2,3-diamine
CID 115320727
4-chloro-5-fluoro-1-N-quinolin-6-ylbenzene-1,2-diamine
CID 66077251
N-(6-chloro-2-ethylpyrimidin-4-yl)quinolin-6-amine
CID 80936805
5-ethyl-6-N-methyl-4-N-quinolin-6-ylpyrimidine-4,6-diamine
CID 80802898
N-(4,6-dihydrazinylpyrimidin-2-yl)quinolin-6-amine
CID 139976319

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-iodopyrimidin-4-yl)quinolin-6-amine?
The IUPAC name of N-(2-chloro-5-iodopyrimidin-4-yl)quinolin-6-amine (CID 90052787) is N-(2-chloro-5-iodopyrimidin-4-yl)quinolin-6-amine.
What is the SMILES notation for N-(2-chloro-5-iodopyrimidin-4-yl)quinolin-6-amine?
The canonical SMILES for N-(2-chloro-5-iodopyrimidin-4-yl)quinolin-6-amine is Clc1ncc(I)c(Nc2ccc3ncccc3c2)n1.
What is the InChIKey of N-(2-chloro-5-iodopyrimidin-4-yl)quinolin-6-amine?
The InChIKey is GWOQLAPNACHKDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClIN4/c14-13-17-7-10(15)12(19-13)18-9-3-4-11-8(6-9)2-1-5-16-11/h1-7H,(H,17,18,19).
What are the key properties of N-(2-chloro-5-iodopyrimidin-4-yl)quinolin-6-amine?
N-(2-chloro-5-iodopyrimidin-4-yl)quinolin-6-amine has a molecular weight of 382.59 g/mol, XLogP of 4.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-iodopyrimidin-4-yl)quinolin-6-amine is sourced from PubChem (CID 90052787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).