4-N-naphthalen-2-yl-2-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine

C23H22N4O3 — CID 54585372

IUPAC4-N-naphthalen-2-yl-2-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine
SMILESCOc1cc(Nc2nccc(Nc3ccc4ccccc4c3)n2)cc(OC)c1OC
InChIInChI=1S/C23H22N4O3/c1-28-19-13-18(14-20(29-2)22(19)30-3)26-23-24-11-10-21(27-23)25-17-9-8-15-6-4-5-7-16(15)12-17/h4-14H,1-3H3,(H2,24,25,26,27)
InChIKeyOQZLCEIUKFMPCK-UHFFFAOYSA-N
MW402.45 g/mol
LogP5.14
Rot. Bonds7

About 4-N-naphthalen-2-yl-2-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine

4-N-naphthalen-2-yl-2-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine (PubChem CID 54585372) has the molecular formula C23H22N4O3 and a molecular weight of 402.45 g/mol. Its IUPAC name is 4-N-naphthalen-2-yl-2-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-naphthalen-2-yl-2-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine
PubChem CID54585372
Molecular FormulaC23H22N4O3
Molecular Weight402.45 g/mol
Exact Mass402.17
IUPAC Name4-N-naphthalen-2-yl-2-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine
SMILESCOc1cc(Nc2nccc(Nc3ccc4ccccc4c3)n2)cc(OC)c1OC
InChIInChI=1S/C23H22N4O3/c1-28-19-13-18(14-20(29-2)22(19)30-3)26-23-24-11-10-21(27-23)25-17-9-8-15-6-4-5-7-16(15)12-17/h4-14H,1-3H3,(H2,24,25,26,27)
InChIKeyOQZLCEIUKFMPCK-UHFFFAOYSA-N
XLogP5.14
TPSA77.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.45
LogP ≤ 55.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-N-naphthalen-2-yl-2-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-naphthalen-2-yl-2-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine (CID 54585372) is 4-N-naphthalen-2-yl-2-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-naphthalen-2-yl-2-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-naphthalen-2-yl-2-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine is COc1cc(Nc2nccc(Nc3ccc4ccccc4c3)n2)cc(OC)c1OC.
What is the InChIKey of 4-N-naphthalen-2-yl-2-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine?
The InChIKey is OQZLCEIUKFMPCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O3/c1-28-19-13-18(14-20(29-2)22(19)30-3)26-23-24-11-10-21(27-23)25-17-9-8-15-6-4-5-7-16(15)12-17/h4-14H,1-3H3,(H2,24,25,26,27).
What are the key properties of 4-N-naphthalen-2-yl-2-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine?
4-N-naphthalen-2-yl-2-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine has a molecular weight of 402.45 g/mol, XLogP of 5.14, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-naphthalen-2-yl-2-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 54585372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).