[3-[2-[2-(3,4-dimethoxyphenyl)ethylamino]pyrimidin-4-yl]-7-methoxynaphthalen-1-yl]carbamic acid

C26H26N4O5 — CID 67493714

IUPAC[3-[2-[2-(3,4-dimethoxyphenyl)ethylamino]pyrimidin-4-yl]-7-methoxynaphthalen-1-yl]carbamic acid
SMILESCOc1ccc2cc(-c3ccnc(NCCc4ccc(OC)c(OC)c4)n3)cc(NC(=O)O)c2c1
InChIInChI=1S/C26H26N4O5/c1-33-19-6-5-17-13-18(14-22(20(17)15-19)30-26(31)32)21-9-11-28-25(29-21)27-10-8-16-4-7-23(34-2)24(12-16)35-3/h4-7,9,11-15,30H,8,10H2,1-3H3,(H,31,32)(H,27,28,29)
InChIKeyGQNQDMRGRPCDPG-UHFFFAOYSA-N
MW474.52 g/mol
LogP5.07
Rot. Bonds9

About [3-[2-[2-(3,4-dimethoxyphenyl)ethylamino]pyrimidin-4-yl]-7-methoxynaphthalen-1-yl]carbamic acid

[3-[2-[2-(3,4-dimethoxyphenyl)ethylamino]pyrimidin-4-yl]-7-methoxynaphthalen-1-yl]carbamic acid (PubChem CID 67493714) has the molecular formula C26H26N4O5 and a molecular weight of 474.52 g/mol. Its IUPAC name is [3-[2-[2-(3,4-dimethoxyphenyl)ethylamino]pyrimidin-4-yl]-7-methoxynaphthalen-1-yl]carbamic acid.

Molecular Properties

Compound Name[3-[2-[2-(3,4-dimethoxyphenyl)ethylamino]pyrimidin-4-yl]-7-methoxynaphthalen-1-yl]carbamic acid
PubChem CID67493714
Molecular FormulaC26H26N4O5
Molecular Weight474.52 g/mol
Exact Mass474.19
IUPAC Name[3-[2-[2-(3,4-dimethoxyphenyl)ethylamino]pyrimidin-4-yl]-7-methoxynaphthalen-1-yl]carbamic acid
SMILESCOc1ccc2cc(-c3ccnc(NCCc4ccc(OC)c(OC)c4)n3)cc(NC(=O)O)c2c1
InChIInChI=1S/C26H26N4O5/c1-33-19-6-5-17-13-18(14-22(20(17)15-19)30-26(31)32)21-9-11-28-25(29-21)27-10-8-16-4-7-23(34-2)24(12-16)35-3/h4-7,9,11-15,30H,8,10H2,1-3H3,(H,31,32)(H,27,28,29)
InChIKeyGQNQDMRGRPCDPG-UHFFFAOYSA-N
XLogP5.07
TPSA114.83 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.52
LogP ≤ 55.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze [3-[2-[2-(3,4-dimethoxyphenyl)ethylamino]pyrimidin-4-yl]-7-methoxynaphthalen-1-yl]carbamic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [3-[2-[2-(3,4-dimethoxyphenyl)ethylamino]pyrimidin-4-yl]-7-methoxynaphthalen-1-yl]carbamic acid?
The IUPAC name of [3-[2-[2-(3,4-dimethoxyphenyl)ethylamino]pyrimidin-4-yl]-7-methoxynaphthalen-1-yl]carbamic acid (CID 67493714) is [3-[2-[2-(3,4-dimethoxyphenyl)ethylamino]pyrimidin-4-yl]-7-methoxynaphthalen-1-yl]carbamic acid.
What is the SMILES notation for [3-[2-[2-(3,4-dimethoxyphenyl)ethylamino]pyrimidin-4-yl]-7-methoxynaphthalen-1-yl]carbamic acid?
The canonical SMILES for [3-[2-[2-(3,4-dimethoxyphenyl)ethylamino]pyrimidin-4-yl]-7-methoxynaphthalen-1-yl]carbamic acid is COc1ccc2cc(-c3ccnc(NCCc4ccc(OC)c(OC)c4)n3)cc(NC(=O)O)c2c1.
What is the InChIKey of [3-[2-[2-(3,4-dimethoxyphenyl)ethylamino]pyrimidin-4-yl]-7-methoxynaphthalen-1-yl]carbamic acid?
The InChIKey is GQNQDMRGRPCDPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O5/c1-33-19-6-5-17-13-18(14-22(20(17)15-19)30-26(31)32)21-9-11-28-25(29-21)27-10-8-16-4-7-23(34-2)24(12-16)35-3/h4-7,9,11-15,30H,8,10H2,1-3H3,(H,31,32)(H,27,28,29).
What are the key properties of [3-[2-[2-(3,4-dimethoxyphenyl)ethylamino]pyrimidin-4-yl]-7-methoxynaphthalen-1-yl]carbamic acid?
[3-[2-[2-(3,4-dimethoxyphenyl)ethylamino]pyrimidin-4-yl]-7-methoxynaphthalen-1-yl]carbamic acid has a molecular weight of 474.52 g/mol, XLogP of 5.07, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-[2-(3,4-dimethoxyphenyl)ethylamino]pyrimidin-4-yl]-7-methoxynaphthalen-1-yl]carbamic acid is sourced from PubChem (CID 67493714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).