6-chloro-5-propyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrimidin-4-amine

C17H20ClN3 — CID 63734216

IUPAC6-chloro-5-propyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrimidin-4-amine
SMILESCCCc1c(Cl)ncnc1Nc1cccc2c1CCCC2
InChIInChI=1S/C17H20ClN3/c1-2-6-14-16(18)19-11-20-17(14)21-15-10-5-8-12-7-3-4-9-13(12)15/h5,8,10-11H,2-4,6-7,9H2,1H3,(H,19,20,21)
InChIKeyHIJRUAQXAIYCHY-UHFFFAOYSA-N
MW301.82 g/mol
LogP4.70
Rot. Bonds4

About 6-chloro-5-propyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrimidin-4-amine

6-chloro-5-propyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrimidin-4-amine (PubChem CID 63734216) has the molecular formula C17H20ClN3 and a molecular weight of 301.82 g/mol. Its IUPAC name is 6-chloro-5-propyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-5-propyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrimidin-4-amine
PubChem CID63734216
Molecular FormulaC17H20ClN3
Molecular Weight301.82 g/mol
Exact Mass301.13
IUPAC Name6-chloro-5-propyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrimidin-4-amine
SMILESCCCc1c(Cl)ncnc1Nc1cccc2c1CCCC2
InChIInChI=1S/C17H20ClN3/c1-2-6-14-16(18)19-11-20-17(14)21-15-10-5-8-12-7-3-4-9-13(12)15/h5,8,10-11H,2-4,6-7,9H2,1H3,(H,19,20,21)
InChIKeyHIJRUAQXAIYCHY-UHFFFAOYSA-N
XLogP4.70
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.82
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-propyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-5-propyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrimidin-4-amine (CID 63734216) is 6-chloro-5-propyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-5-propyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-5-propyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrimidin-4-amine is CCCc1c(Cl)ncnc1Nc1cccc2c1CCCC2.
What is the InChIKey of 6-chloro-5-propyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrimidin-4-amine?
The InChIKey is HIJRUAQXAIYCHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3/c1-2-6-14-16(18)19-11-20-17(14)21-15-10-5-8-12-7-3-4-9-13(12)15/h5,8,10-11H,2-4,6-7,9H2,1H3,(H,19,20,21).
What are the key properties of 6-chloro-5-propyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrimidin-4-amine?
6-chloro-5-propyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrimidin-4-amine has a molecular weight of 301.82 g/mol, XLogP of 4.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-propyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 63734216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).