5-(4-methoxy-5-naphthalen-2-yl-2-propan-2-ylphenoxy)pyrimidine-2,4-diamine

C24H24N4O2 — CID 177381281

IUPAC5-(4-methoxy-5-naphthalen-2-yl-2-propan-2-ylphenoxy)pyrimidine-2,4-diamine
SMILESCOc1cc(C(C)C)c(Oc2cnc(N)nc2N)cc1-c1ccc2ccccc2c1
InChIInChI=1S/C24H24N4O2/c1-14(2)18-11-20(29-3)19(17-9-8-15-6-4-5-7-16(15)10-17)12-21(18)30-22-13-27-24(26)28-23(22)25/h4-14H,1-3H3,(H4,25,26,27,28)
InChIKeyHWLOTYRHULARKZ-UHFFFAOYSA-N
MW400.48 g/mol
LogP5.39
Rot. Bonds5

About 5-(4-methoxy-5-naphthalen-2-yl-2-propan-2-ylphenoxy)pyrimidine-2,4-diamine

5-(4-methoxy-5-naphthalen-2-yl-2-propan-2-ylphenoxy)pyrimidine-2,4-diamine (PubChem CID 177381281) has the molecular formula C24H24N4O2 and a molecular weight of 400.48 g/mol. Its IUPAC name is 5-(4-methoxy-5-naphthalen-2-yl-2-propan-2-ylphenoxy)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-(4-methoxy-5-naphthalen-2-yl-2-propan-2-ylphenoxy)pyrimidine-2,4-diamine
PubChem CID177381281
Molecular FormulaC24H24N4O2
Molecular Weight400.48 g/mol
Exact Mass400.19
IUPAC Name5-(4-methoxy-5-naphthalen-2-yl-2-propan-2-ylphenoxy)pyrimidine-2,4-diamine
SMILESCOc1cc(C(C)C)c(Oc2cnc(N)nc2N)cc1-c1ccc2ccccc2c1
InChIInChI=1S/C24H24N4O2/c1-14(2)18-11-20(29-3)19(17-9-8-15-6-4-5-7-16(15)10-17)12-21(18)30-22-13-27-24(26)28-23(22)25/h4-14H,1-3H3,(H4,25,26,27,28)
InChIKeyHWLOTYRHULARKZ-UHFFFAOYSA-N
XLogP5.39
TPSA96.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.48
LogP ≤ 55.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxy-5-naphthalen-2-yl-2-propan-2-ylphenoxy)pyrimidine-2,4-diamine?
The IUPAC name of 5-(4-methoxy-5-naphthalen-2-yl-2-propan-2-ylphenoxy)pyrimidine-2,4-diamine (CID 177381281) is 5-(4-methoxy-5-naphthalen-2-yl-2-propan-2-ylphenoxy)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-(4-methoxy-5-naphthalen-2-yl-2-propan-2-ylphenoxy)pyrimidine-2,4-diamine?
The canonical SMILES for 5-(4-methoxy-5-naphthalen-2-yl-2-propan-2-ylphenoxy)pyrimidine-2,4-diamine is COc1cc(C(C)C)c(Oc2cnc(N)nc2N)cc1-c1ccc2ccccc2c1.
What is the InChIKey of 5-(4-methoxy-5-naphthalen-2-yl-2-propan-2-ylphenoxy)pyrimidine-2,4-diamine?
The InChIKey is HWLOTYRHULARKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O2/c1-14(2)18-11-20(29-3)19(17-9-8-15-6-4-5-7-16(15)10-17)12-21(18)30-22-13-27-24(26)28-23(22)25/h4-14H,1-3H3,(H4,25,26,27,28).
What are the key properties of 5-(4-methoxy-5-naphthalen-2-yl-2-propan-2-ylphenoxy)pyrimidine-2,4-diamine?
5-(4-methoxy-5-naphthalen-2-yl-2-propan-2-ylphenoxy)pyrimidine-2,4-diamine has a molecular weight of 400.48 g/mol, XLogP of 5.39, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxy-5-naphthalen-2-yl-2-propan-2-ylphenoxy)pyrimidine-2,4-diamine is sourced from PubChem (CID 177381281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).