6-chloro-N-[2-(2-ethoxynaphthalen-1-yl)ethyl]pyrimidin-4-amine

C18H18ClN3O — CID 135380668

IUPAC6-chloro-N-[2-(2-ethoxynaphthalen-1-yl)ethyl]pyrimidin-4-amine
SMILESCCOc1ccc2ccccc2c1CCNc1cc(Cl)ncn1
InChIInChI=1S/C18H18ClN3O/c1-2-23-16-8-7-13-5-3-4-6-14(13)15(16)9-10-20-18-11-17(19)21-12-22-18/h3-8,11-12H,2,9-10H2,1H3,(H,20,21,22)
InChIKeySRGCIARNXIKVMB-UHFFFAOYSA-N
MW327.82 g/mol
LogP4.34
Rot. Bonds6

About 6-chloro-N-[2-(2-ethoxynaphthalen-1-yl)ethyl]pyrimidin-4-amine

6-chloro-N-[2-(2-ethoxynaphthalen-1-yl)ethyl]pyrimidin-4-amine (PubChem CID 135380668) has the molecular formula C18H18ClN3O and a molecular weight of 327.82 g/mol. Its IUPAC name is 6-chloro-N-[2-(2-ethoxynaphthalen-1-yl)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-[2-(2-ethoxynaphthalen-1-yl)ethyl]pyrimidin-4-amine
PubChem CID135380668
Molecular FormulaC18H18ClN3O
Molecular Weight327.82 g/mol
Exact Mass327.11
IUPAC Name6-chloro-N-[2-(2-ethoxynaphthalen-1-yl)ethyl]pyrimidin-4-amine
SMILESCCOc1ccc2ccccc2c1CCNc1cc(Cl)ncn1
InChIInChI=1S/C18H18ClN3O/c1-2-23-16-8-7-13-5-3-4-6-14(13)15(16)9-10-20-18-11-17(19)21-12-22-18/h3-8,11-12H,2,9-10H2,1H3,(H,20,21,22)
InChIKeySRGCIARNXIKVMB-UHFFFAOYSA-N
XLogP4.34
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.82
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[2-(2-ethoxynaphthalen-1-yl)ethyl]pyrimidin-4-amine?
The IUPAC name of 6-chloro-N-[2-(2-ethoxynaphthalen-1-yl)ethyl]pyrimidin-4-amine (CID 135380668) is 6-chloro-N-[2-(2-ethoxynaphthalen-1-yl)ethyl]pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-[2-(2-ethoxynaphthalen-1-yl)ethyl]pyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-[2-(2-ethoxynaphthalen-1-yl)ethyl]pyrimidin-4-amine is CCOc1ccc2ccccc2c1CCNc1cc(Cl)ncn1.
What is the InChIKey of 6-chloro-N-[2-(2-ethoxynaphthalen-1-yl)ethyl]pyrimidin-4-amine?
The InChIKey is SRGCIARNXIKVMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O/c1-2-23-16-8-7-13-5-3-4-6-14(13)15(16)9-10-20-18-11-17(19)21-12-22-18/h3-8,11-12H,2,9-10H2,1H3,(H,20,21,22).
What are the key properties of 6-chloro-N-[2-(2-ethoxynaphthalen-1-yl)ethyl]pyrimidin-4-amine?
6-chloro-N-[2-(2-ethoxynaphthalen-1-yl)ethyl]pyrimidin-4-amine has a molecular weight of 327.82 g/mol, XLogP of 4.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[2-(2-ethoxynaphthalen-1-yl)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 135380668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).