6-naphthalen-1-yloxy-5-propan-2-ylpyrimidin-4-amine

C17H17N3O — CID 80865916

IUPAC6-naphthalen-1-yloxy-5-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1c(N)ncnc1Oc1cccc2ccccc12
InChIInChI=1S/C17H17N3O/c1-11(2)15-16(18)19-10-20-17(15)21-14-9-5-7-12-6-3-4-8-13(12)14/h3-11H,1-2H3,(H2,18,19,20)
InChIKeyANNFYHBEBLHKIJ-UHFFFAOYSA-N
MW279.34 g/mol
LogP4.13
Rot. Bonds3

About 6-naphthalen-1-yloxy-5-propan-2-ylpyrimidin-4-amine

6-naphthalen-1-yloxy-5-propan-2-ylpyrimidin-4-amine (PubChem CID 80865916) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is 6-naphthalen-1-yloxy-5-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-naphthalen-1-yloxy-5-propan-2-ylpyrimidin-4-amine
PubChem CID80865916
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name6-naphthalen-1-yloxy-5-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1c(N)ncnc1Oc1cccc2ccccc12
InChIInChI=1S/C17H17N3O/c1-11(2)15-16(18)19-10-20-17(15)21-14-9-5-7-12-6-3-4-8-13(12)14/h3-11H,1-2H3,(H2,18,19,20)
InChIKeyANNFYHBEBLHKIJ-UHFFFAOYSA-N
XLogP4.13
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-naphthalen-1-yloxy-6-naphthalen-2-yloxypyrimidin-5-amine
CID 22541342
6-(4-bromophenoxy)-5-propan-2-ylpyrimidin-4-amine
CID 80863794
5-propan-2-yl-6-(4-propoxyphenoxy)pyrimidin-4-amine
CID 80874994
4-(2-tert-butylhydrazinyl)-6-naphthalen-1-yloxypyrimidin-5-amine
CID 22541503
4-naphthalen-1-yloxy-6-piperidin-1-ylpyrimidin-5-amine
CID 22541377
6-(4-bromo-2-fluorophenoxy)-5-propan-2-ylpyrimidin-4-amine
CID 80881778
6-[(2-methylpropan-2-yl)oxy]-5-propan-2-ylpyrimidin-4-amine
CID 80861603
5-propan-2-yl-6-prop-2-enoxypyrimidin-4-amine
CID 80868547
4-N,4-N-bis(2-methoxyethyl)-6-naphthalen-1-yloxypyrimidine-4,5-diamine
CID 22541401
6-(3-nitrophenoxy)-5-propan-2-ylpyrimidin-4-amine
CID 80871465
5-(6-chloro-5-propan-2-ylpyrimidin-4-yl)oxyquinoline
CID 103044674
4-(6-amino-5-propan-2-ylpyrimidin-4-yl)oxybenzonitrile
CID 80869737

Frequently Asked Questions

What is the IUPAC name of 6-naphthalen-1-yloxy-5-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 6-naphthalen-1-yloxy-5-propan-2-ylpyrimidin-4-amine (CID 80865916) is 6-naphthalen-1-yloxy-5-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-naphthalen-1-yloxy-5-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-naphthalen-1-yloxy-5-propan-2-ylpyrimidin-4-amine is CC(C)c1c(N)ncnc1Oc1cccc2ccccc12.
What is the InChIKey of 6-naphthalen-1-yloxy-5-propan-2-ylpyrimidin-4-amine?
The InChIKey is ANNFYHBEBLHKIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-11(2)15-16(18)19-10-20-17(15)21-14-9-5-7-12-6-3-4-8-13(12)14/h3-11H,1-2H3,(H2,18,19,20).
What are the key properties of 6-naphthalen-1-yloxy-5-propan-2-ylpyrimidin-4-amine?
6-naphthalen-1-yloxy-5-propan-2-ylpyrimidin-4-amine has a molecular weight of 279.34 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-naphthalen-1-yloxy-5-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 80865916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).