4-chloro-6-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pyrimidin-2-amine

C14H14ClN3O — CID 80740168

IUPAC4-chloro-6-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pyrimidin-2-amine
SMILESNc1nc(Cl)cc(Oc2ccc3c(c2)CCCC3)n1
InChIInChI=1S/C14H14ClN3O/c15-12-8-13(18-14(16)17-12)19-11-6-5-9-3-1-2-4-10(9)7-11/h5-8H,1-4H2,(H2,16,17,18)
InChIKeyHODRMTDBXUKJLA-UHFFFAOYSA-N
MW275.74 g/mol
LogP3.38
Rot. Bonds2

About 4-chloro-6-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pyrimidin-2-amine

4-chloro-6-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pyrimidin-2-amine (PubChem CID 80740168) has the molecular formula C14H14ClN3O and a molecular weight of 275.74 g/mol. Its IUPAC name is 4-chloro-6-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pyrimidin-2-amine.

Molecular Properties

Compound Name4-chloro-6-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pyrimidin-2-amine
PubChem CID80740168
Molecular FormulaC14H14ClN3O
Molecular Weight275.74 g/mol
Exact Mass275.08
IUPAC Name4-chloro-6-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pyrimidin-2-amine
SMILESNc1nc(Cl)cc(Oc2ccc3c(c2)CCCC3)n1
InChIInChI=1S/C14H14ClN3O/c15-12-8-13(18-14(16)17-12)19-11-6-5-9-3-1-2-4-10(9)7-11/h5-8H,1-4H2,(H2,16,17,18)
InChIKeyHODRMTDBXUKJLA-UHFFFAOYSA-N
XLogP3.38
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2-amino-6-chloropyrimidin-4-yl)oxy-3,4-dihydro-1H-quinolin-2-one
CID 112725503
4-chloro-6-(4-methylphenoxy)pyrimidin-2-amine
CID 748214
4-(1,3-benzodioxol-5-yloxy)-6-chloropyrimidin-2-amine
CID 47151279
4-(3-bromo-4-fluorophenoxy)-6-chloropyrimidin-2-amine
CID 83235895
2-chloro-6-(2,3-dihydro-1H-inden-5-yloxy)pyrazine
CID 60726088
4-chloro-6-(3-fluoro-4-methylphenoxy)pyrimidin-2-amine
CID 107169142
4-(2,3-dihydro-1H-inden-5-yloxy)quinazolin-2-amine
CID 80874662
5-(2-amino-6-chloropyrimidin-4-yl)oxy-2-bromobenzaldehyde
CID 133384803
4-chloro-6-pyridin-3-yloxypyrimidin-2-amine
CID 47159152
2-[4-(2-amino-6-chloropyrimidin-4-yl)oxyphenyl]propan-2-ol
CID 163247823
2-(chloromethyl)-6-(2,3-dihydro-1H-inden-5-yloxy)pyridine
CID 62240738
3-(2-amino-6-chloropyrimidin-4-yl)oxybenzamide
CID 47280236

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pyrimidin-2-amine?
The IUPAC name of 4-chloro-6-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pyrimidin-2-amine (CID 80740168) is 4-chloro-6-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pyrimidin-2-amine.
What is the SMILES notation for 4-chloro-6-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pyrimidin-2-amine?
The canonical SMILES for 4-chloro-6-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pyrimidin-2-amine is Nc1nc(Cl)cc(Oc2ccc3c(c2)CCCC3)n1.
What is the InChIKey of 4-chloro-6-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pyrimidin-2-amine?
The InChIKey is HODRMTDBXUKJLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O/c15-12-8-13(18-14(16)17-12)19-11-6-5-9-3-1-2-4-10(9)7-11/h5-8H,1-4H2,(H2,16,17,18).
What are the key properties of 4-chloro-6-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pyrimidin-2-amine?
4-chloro-6-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pyrimidin-2-amine has a molecular weight of 275.74 g/mol, XLogP of 3.38, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pyrimidin-2-amine is sourced from PubChem (CID 80740168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).