2-chloro-N-naphthalen-1-ylpyrimidin-4-amine

C14H10ClN3 — CID 55065329

IUPAC2-chloro-N-naphthalen-1-ylpyrimidin-4-amine
SMILESClc1nccc(Nc2cccc3ccccc23)n1
InChIInChI=1S/C14H10ClN3/c15-14-16-9-8-13(18-14)17-12-7-3-5-10-4-1-2-6-11(10)12/h1-9H,(H,16,17,18)
InChIKeyHSLWMEFKAPIEET-UHFFFAOYSA-N
MW255.71 g/mol
LogP4.03
Rot. Bonds2

About 2-chloro-N-naphthalen-1-ylpyrimidin-4-amine

2-chloro-N-naphthalen-1-ylpyrimidin-4-amine (PubChem CID 55065329) has the molecular formula C14H10ClN3 and a molecular weight of 255.71 g/mol. Its IUPAC name is 2-chloro-N-naphthalen-1-ylpyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-naphthalen-1-ylpyrimidin-4-amine
PubChem CID55065329
Molecular FormulaC14H10ClN3
Molecular Weight255.71 g/mol
Exact Mass255.06
IUPAC Name2-chloro-N-naphthalen-1-ylpyrimidin-4-amine
SMILESClc1nccc(Nc2cccc3ccccc23)n1
InChIInChI=1S/C14H10ClN3/c15-14-16-9-8-13(18-14)17-12-7-3-5-10-4-1-2-6-11(10)12/h1-9H,(H,16,17,18)
InChIKeyHSLWMEFKAPIEET-UHFFFAOYSA-N
XLogP4.03
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.71
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-(2-chloropyrimidin-4-yl)-2-N,2-N-dimethylbenzene-1,2-diamine
CID 106760540
2-chloro-N-[2-(methylsulfonylmethyl)phenyl]pyrimidin-4-amine
CID 157222009
N-naphthalen-1-ylisoquinolin-1-amine
CID 3677376
2-chloro-N-[2-(1-methylpyrazol-3-yl)phenyl]pyrimidin-4-amine
CID 131801139
2-chloro-N-[2-(difluoromethoxy)phenyl]pyrimidin-4-amine
CID 62336208
N-(2-chloropyrimidin-4-yl)naphthalene-1-sulfonamide
CID 114795856
6-bromo-N-naphthalen-1-ylpyridin-2-amine
CID 63961930
6-(naphthalen-1-ylamino)pyridine-2-carbonitrile
CID 64590026
1-chloro-N-naphthalen-1-ylnaphthalen-2-amine
CID 155635365
N-(2-bromo-4-chlorophenyl)-2-chloropyrimidin-4-amine
CID 81280685
2-chloro-N-(3-methylphenyl)pyrimidin-4-amine
CID 46859551
6-chloro-N-naphthalen-1-yl-5-propan-2-ylpyrimidin-4-amine
CID 63734571

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-naphthalen-1-ylpyrimidin-4-amine?
The IUPAC name of 2-chloro-N-naphthalen-1-ylpyrimidin-4-amine (CID 55065329) is 2-chloro-N-naphthalen-1-ylpyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-naphthalen-1-ylpyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-naphthalen-1-ylpyrimidin-4-amine is Clc1nccc(Nc2cccc3ccccc23)n1.
What is the InChIKey of 2-chloro-N-naphthalen-1-ylpyrimidin-4-amine?
The InChIKey is HSLWMEFKAPIEET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN3/c15-14-16-9-8-13(18-14)17-12-7-3-5-10-4-1-2-6-11(10)12/h1-9H,(H,16,17,18).
What are the key properties of 2-chloro-N-naphthalen-1-ylpyrimidin-4-amine?
2-chloro-N-naphthalen-1-ylpyrimidin-4-amine has a molecular weight of 255.71 g/mol, XLogP of 4.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-naphthalen-1-ylpyrimidin-4-amine is sourced from PubChem (CID 55065329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).