4-chloro-2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)pyrimidine-5-carbonitrile

C15H13ClN4 — CID 164844404

IUPAC4-chloro-2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)pyrimidine-5-carbonitrile
SMILESN#Cc1cnc(Nc2cccc3c2CCCC3)nc1Cl
InChIInChI=1S/C15H13ClN4/c16-14-11(8-17)9-18-15(20-14)19-13-7-3-5-10-4-1-2-6-12(10)13/h3,5,7,9H,1-2,4,6H2,(H,18,19,20)
InChIKeyOGVTZPPOIQWVOT-UHFFFAOYSA-N
MW284.75 g/mol
LogP3.62
Rot. Bonds2

About 4-chloro-2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)pyrimidine-5-carbonitrile

4-chloro-2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)pyrimidine-5-carbonitrile (PubChem CID 164844404) has the molecular formula C15H13ClN4 and a molecular weight of 284.75 g/mol. Its IUPAC name is 4-chloro-2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-chloro-2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)pyrimidine-5-carbonitrile
PubChem CID164844404
Molecular FormulaC15H13ClN4
Molecular Weight284.75 g/mol
Exact Mass284.08
IUPAC Name4-chloro-2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)pyrimidine-5-carbonitrile
SMILESN#Cc1cnc(Nc2cccc3c2CCCC3)nc1Cl
InChIInChI=1S/C15H13ClN4/c16-14-11(8-17)9-18-15(20-14)19-13-7-3-5-10-4-1-2-6-12(10)13/h3,5,7,9H,1-2,4,6H2,(H,18,19,20)
InChIKeyOGVTZPPOIQWVOT-UHFFFAOYSA-N
XLogP3.62
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.75
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)pyrimidine-5-carbonitrile?
The IUPAC name of 4-chloro-2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)pyrimidine-5-carbonitrile (CID 164844404) is 4-chloro-2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)pyrimidine-5-carbonitrile.
What is the SMILES notation for 4-chloro-2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)pyrimidine-5-carbonitrile?
The canonical SMILES for 4-chloro-2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)pyrimidine-5-carbonitrile is N#Cc1cnc(Nc2cccc3c2CCCC3)nc1Cl.
What is the InChIKey of 4-chloro-2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)pyrimidine-5-carbonitrile?
The InChIKey is OGVTZPPOIQWVOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN4/c16-14-11(8-17)9-18-15(20-14)19-13-7-3-5-10-4-1-2-6-12(10)13/h3,5,7,9H,1-2,4,6H2,(H,18,19,20).
What are the key properties of 4-chloro-2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)pyrimidine-5-carbonitrile?
4-chloro-2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)pyrimidine-5-carbonitrile has a molecular weight of 284.75 g/mol, XLogP of 3.62, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)pyrimidine-5-carbonitrile is sourced from PubChem (CID 164844404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).