4,6-dimethoxy-2-[1-(4-methoxyphenyl)-2-pyrimidin-4-ylethoxy]pyrimidine

C19H20N4O4 — CID 3608763

IUPAC4,6-dimethoxy-2-[1-(4-methoxyphenyl)-2-pyrimidin-4-ylethoxy]pyrimidine
SMILESCOc1ccc(C(Cc2ccncn2)Oc2nc(OC)cc(OC)n2)cc1
InChIInChI=1S/C19H20N4O4/c1-24-15-6-4-13(5-7-15)16(10-14-8-9-20-12-21-14)27-19-22-17(25-2)11-18(23-19)26-3/h4-9,11-12,16H,10H2,1-3H3
InChIKeyVANDPSCYIASWRP-UHFFFAOYSA-N
MW368.39 g/mol
LogP2.66
Rot. Bonds8

About 4,6-dimethoxy-2-[1-(4-methoxyphenyl)-2-pyrimidin-4-ylethoxy]pyrimidine

4,6-dimethoxy-2-[1-(4-methoxyphenyl)-2-pyrimidin-4-ylethoxy]pyrimidine (PubChem CID 3608763) has the molecular formula C19H20N4O4 and a molecular weight of 368.39 g/mol. Its IUPAC name is 4,6-dimethoxy-2-[1-(4-methoxyphenyl)-2-pyrimidin-4-ylethoxy]pyrimidine.

Molecular Properties

Compound Name4,6-dimethoxy-2-[1-(4-methoxyphenyl)-2-pyrimidin-4-ylethoxy]pyrimidine
PubChem CID3608763
Molecular FormulaC19H20N4O4
Molecular Weight368.39 g/mol
Exact Mass368.15
IUPAC Name4,6-dimethoxy-2-[1-(4-methoxyphenyl)-2-pyrimidin-4-ylethoxy]pyrimidine
SMILESCOc1ccc(C(Cc2ccncn2)Oc2nc(OC)cc(OC)n2)cc1
InChIInChI=1S/C19H20N4O4/c1-24-15-6-4-13(5-7-15)16(10-14-8-9-20-12-21-14)27-19-22-17(25-2)11-18(23-19)26-3/h4-9,11-12,16H,10H2,1-3H3
InChIKeyVANDPSCYIASWRP-UHFFFAOYSA-N
XLogP2.66
TPSA88.48 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethoxy-2-[1-(4-methoxyphenyl)-2-pyrimidin-4-ylethoxy]pyrimidine?
The IUPAC name of 4,6-dimethoxy-2-[1-(4-methoxyphenyl)-2-pyrimidin-4-ylethoxy]pyrimidine (CID 3608763) is 4,6-dimethoxy-2-[1-(4-methoxyphenyl)-2-pyrimidin-4-ylethoxy]pyrimidine.
What is the SMILES notation for 4,6-dimethoxy-2-[1-(4-methoxyphenyl)-2-pyrimidin-4-ylethoxy]pyrimidine?
The canonical SMILES for 4,6-dimethoxy-2-[1-(4-methoxyphenyl)-2-pyrimidin-4-ylethoxy]pyrimidine is COc1ccc(C(Cc2ccncn2)Oc2nc(OC)cc(OC)n2)cc1.
What is the InChIKey of 4,6-dimethoxy-2-[1-(4-methoxyphenyl)-2-pyrimidin-4-ylethoxy]pyrimidine?
The InChIKey is VANDPSCYIASWRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O4/c1-24-15-6-4-13(5-7-15)16(10-14-8-9-20-12-21-14)27-19-22-17(25-2)11-18(23-19)26-3/h4-9,11-12,16H,10H2,1-3H3.
What are the key properties of 4,6-dimethoxy-2-[1-(4-methoxyphenyl)-2-pyrimidin-4-ylethoxy]pyrimidine?
4,6-dimethoxy-2-[1-(4-methoxyphenyl)-2-pyrimidin-4-ylethoxy]pyrimidine has a molecular weight of 368.39 g/mol, XLogP of 2.66, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethoxy-2-[1-(4-methoxyphenyl)-2-pyrimidin-4-ylethoxy]pyrimidine is sourced from PubChem (CID 3608763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).