6-chloro-4-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrimidine-2,4-diamine

C14H15ClN4 — CID 80735055

IUPAC6-chloro-4-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrimidine-2,4-diamine
SMILESNc1nc(Cl)cc(Nc2cccc3c2CCCC3)n1
InChIInChI=1S/C14H15ClN4/c15-12-8-13(19-14(16)18-12)17-11-7-3-5-9-4-1-2-6-10(9)11/h3,5,7-8H,1-2,4,6H2,(H3,16,17,18,19)
InChIKeyHIUTVNSQWMFNGT-UHFFFAOYSA-N
MW274.76 g/mol
LogP3.33
Rot. Bonds2

About 6-chloro-4-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrimidine-2,4-diamine

6-chloro-4-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrimidine-2,4-diamine (PubChem CID 80735055) has the molecular formula C14H15ClN4 and a molecular weight of 274.76 g/mol. Its IUPAC name is 6-chloro-4-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-4-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrimidine-2,4-diamine
PubChem CID80735055
Molecular FormulaC14H15ClN4
Molecular Weight274.76 g/mol
Exact Mass274.10
IUPAC Name6-chloro-4-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrimidine-2,4-diamine
SMILESNc1nc(Cl)cc(Nc2cccc3c2CCCC3)n1
InChIInChI=1S/C14H15ClN4/c15-12-8-13(19-14(16)18-12)17-11-7-3-5-9-4-1-2-6-10(9)11/h3,5,7-8H,1-2,4,6H2,(H3,16,17,18,19)
InChIKeyHIUTVNSQWMFNGT-UHFFFAOYSA-N
XLogP3.33
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.76
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrimidine-2,4-diamine?
The IUPAC name of 6-chloro-4-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrimidine-2,4-diamine (CID 80735055) is 6-chloro-4-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 6-chloro-4-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 6-chloro-4-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrimidine-2,4-diamine is Nc1nc(Cl)cc(Nc2cccc3c2CCCC3)n1.
What is the InChIKey of 6-chloro-4-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrimidine-2,4-diamine?
The InChIKey is HIUTVNSQWMFNGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4/c15-12-8-13(19-14(16)18-12)17-11-7-3-5-9-4-1-2-6-10(9)11/h3,5,7-8H,1-2,4,6H2,(H3,16,17,18,19).
What are the key properties of 6-chloro-4-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrimidine-2,4-diamine?
6-chloro-4-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrimidine-2,4-diamine has a molecular weight of 274.76 g/mol, XLogP of 3.33, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 80735055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).