6-chloro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-4-amine

C14H14ClN3 — CID 62316564

IUPAC6-chloro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-4-amine
SMILESClc1cc(NC2CCCc3ccccc32)ncn1
InChIInChI=1S/C14H14ClN3/c15-13-8-14(17-9-16-13)18-12-7-3-5-10-4-1-2-6-11(10)12/h1-2,4,6,8-9,12H,3,5,7H2,(H,16,17,18)
InChIKeyARSHHUPYSDVMEY-UHFFFAOYSA-N
MW259.74 g/mol
LogP3.62
Rot. Bonds2

About 6-chloro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-4-amine

6-chloro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-4-amine (PubChem CID 62316564) has the molecular formula C14H14ClN3 and a molecular weight of 259.74 g/mol. Its IUPAC name is 6-chloro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-4-amine
PubChem CID62316564
Molecular FormulaC14H14ClN3
Molecular Weight259.74 g/mol
Exact Mass259.09
IUPAC Name6-chloro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-4-amine
SMILESClc1cc(NC2CCCc3ccccc32)ncn1
InChIInChI=1S/C14H14ClN3/c15-13-8-14(17-9-16-13)18-12-7-3-5-10-4-1-2-6-11(10)12/h1-2,4,6,8-9,12H,3,5,7H2,(H,16,17,18)
InChIKeyARSHHUPYSDVMEY-UHFFFAOYSA-N
XLogP3.62
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.74
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-N,4-N-dimethyl-6-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidine-4,6-diamine
CID 122282114
6-chloro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyridazin-3-amine
CID 60674920
6-chloro-2-methylsulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-4-amine
CID 80546785
2-chloro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-4-amine
CID 60673860
N-(2,6-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 65470081
5-fluoro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyridin-2-amine
CID 62304263
2-chloro-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine-4-carboxamide
CID 32694198
5-chloro-N-[(1S)-2,3-dihydro-1H-inden-1-yl]pyrazin-2-amine
CID 169260324
2-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-4-amine
CID 62784380
N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-thiadiazol-5-amine
CID 65276359
6-methoxy-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyridin-2-amine
CID 63590242
6-chloro-4,5-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyridazin-3-amine
CID 63271648

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-4-amine (CID 62316564) is 6-chloro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-4-amine is Clc1cc(NC2CCCc3ccccc32)ncn1.
What is the InChIKey of 6-chloro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-4-amine?
The InChIKey is ARSHHUPYSDVMEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3/c15-13-8-14(17-9-16-13)18-12-7-3-5-10-4-1-2-6-11(10)12/h1-2,4,6,8-9,12H,3,5,7H2,(H,16,17,18).
What are the key properties of 6-chloro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-4-amine?
6-chloro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-4-amine has a molecular weight of 259.74 g/mol, XLogP of 3.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 62316564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).