N-ethyl-2-methyl-6-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pyrimidin-4-amine

C17H21N3O — CID 80880083

IUPACN-ethyl-2-methyl-6-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pyrimidin-4-amine
SMILESCCNc1cc(Oc2ccc3c(c2)CCCC3)nc(C)n1
InChIInChI=1S/C17H21N3O/c1-3-18-16-11-17(20-12(2)19-16)21-15-9-8-13-6-4-5-7-14(13)10-15/h8-11H,3-7H2,1-2H3,(H,18,19,20)
InChIKeyDPNRRGWVQSFIQT-UHFFFAOYSA-N
MW283.38 g/mol
LogP3.89
Rot. Bonds4

About N-ethyl-2-methyl-6-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pyrimidin-4-amine

N-ethyl-2-methyl-6-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pyrimidin-4-amine (PubChem CID 80880083) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is N-ethyl-2-methyl-6-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-2-methyl-6-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pyrimidin-4-amine
PubChem CID80880083
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC NameN-ethyl-2-methyl-6-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pyrimidin-4-amine
SMILESCCNc1cc(Oc2ccc3c(c2)CCCC3)nc(C)n1
InChIInChI=1S/C17H21N3O/c1-3-18-16-11-17(20-12(2)19-16)21-15-9-8-13-6-4-5-7-14(13)10-15/h8-11H,3-7H2,1-2H3,(H,18,19,20)
InChIKeyDPNRRGWVQSFIQT-UHFFFAOYSA-N
XLogP3.89
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methyl-6-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pyrimidin-4-amine?
The IUPAC name of N-ethyl-2-methyl-6-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pyrimidin-4-amine (CID 80880083) is N-ethyl-2-methyl-6-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-2-methyl-6-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pyrimidin-4-amine?
The canonical SMILES for N-ethyl-2-methyl-6-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pyrimidin-4-amine is CCNc1cc(Oc2ccc3c(c2)CCCC3)nc(C)n1.
What is the InChIKey of N-ethyl-2-methyl-6-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pyrimidin-4-amine?
The InChIKey is DPNRRGWVQSFIQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-3-18-16-11-17(20-12(2)19-16)21-15-9-8-13-6-4-5-7-14(13)10-15/h8-11H,3-7H2,1-2H3,(H,18,19,20).
What are the key properties of N-ethyl-2-methyl-6-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pyrimidin-4-amine?
N-ethyl-2-methyl-6-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pyrimidin-4-amine has a molecular weight of 283.38 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methyl-6-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pyrimidin-4-amine is sourced from PubChem (CID 80880083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).