6,7-dimethoxy-4-[4-[5-(thiophen-2-ylmethoxy)pyrimidin-2-yl]piperazin-1-yl]quinazoline

C23H24N6O3S — CID 86296993

IUPAC6,7-dimethoxy-4-[4-[5-(thiophen-2-ylmethoxy)pyrimidin-2-yl]piperazin-1-yl]quinazoline
SMILESCOc1cc2ncnc(N3CCN(c4ncc(OCc5cccs5)cn4)CC3)c2cc1OC
InChIInChI=1S/C23H24N6O3S/c1-30-20-10-18-19(11-21(20)31-2)26-15-27-22(18)28-5-7-29(8-6-28)23-24-12-16(13-25-23)32-14-17-4-3-9-33-17/h3-4,9-13,15H,5-8,14H2,1-2H3
InChIKeySKFQAMCVVOGHAR-UHFFFAOYSA-N
MW464.55 g/mol
LogP3.40
Rot. Bonds7

About 6,7-dimethoxy-4-[4-[5-(thiophen-2-ylmethoxy)pyrimidin-2-yl]piperazin-1-yl]quinazoline

6,7-dimethoxy-4-[4-[5-(thiophen-2-ylmethoxy)pyrimidin-2-yl]piperazin-1-yl]quinazoline (PubChem CID 86296993) has the molecular formula C23H24N6O3S and a molecular weight of 464.55 g/mol. Its IUPAC name is 6,7-dimethoxy-4-[4-[5-(thiophen-2-ylmethoxy)pyrimidin-2-yl]piperazin-1-yl]quinazoline.

Molecular Properties

Compound Name6,7-dimethoxy-4-[4-[5-(thiophen-2-ylmethoxy)pyrimidin-2-yl]piperazin-1-yl]quinazoline
PubChem CID86296993
Molecular FormulaC23H24N6O3S
Molecular Weight464.55 g/mol
Exact Mass464.16
IUPAC Name6,7-dimethoxy-4-[4-[5-(thiophen-2-ylmethoxy)pyrimidin-2-yl]piperazin-1-yl]quinazoline
SMILESCOc1cc2ncnc(N3CCN(c4ncc(OCc5cccs5)cn4)CC3)c2cc1OC
InChIInChI=1S/C23H24N6O3S/c1-30-20-10-18-19(11-21(20)31-2)26-15-27-22(18)28-5-7-29(8-6-28)23-24-12-16(13-25-23)32-14-17-4-3-9-33-17/h3-4,9-13,15H,5-8,14H2,1-2H3
InChIKeySKFQAMCVVOGHAR-UHFFFAOYSA-N
XLogP3.40
TPSA85.73 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.55
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-4-[4-[5-(thiophen-2-ylmethoxy)pyrimidin-2-yl]piperazin-1-yl]quinazoline?
The IUPAC name of 6,7-dimethoxy-4-[4-[5-(thiophen-2-ylmethoxy)pyrimidin-2-yl]piperazin-1-yl]quinazoline (CID 86296993) is 6,7-dimethoxy-4-[4-[5-(thiophen-2-ylmethoxy)pyrimidin-2-yl]piperazin-1-yl]quinazoline.
What is the SMILES notation for 6,7-dimethoxy-4-[4-[5-(thiophen-2-ylmethoxy)pyrimidin-2-yl]piperazin-1-yl]quinazoline?
The canonical SMILES for 6,7-dimethoxy-4-[4-[5-(thiophen-2-ylmethoxy)pyrimidin-2-yl]piperazin-1-yl]quinazoline is COc1cc2ncnc(N3CCN(c4ncc(OCc5cccs5)cn4)CC3)c2cc1OC.
What is the InChIKey of 6,7-dimethoxy-4-[4-[5-(thiophen-2-ylmethoxy)pyrimidin-2-yl]piperazin-1-yl]quinazoline?
The InChIKey is SKFQAMCVVOGHAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O3S/c1-30-20-10-18-19(11-21(20)31-2)26-15-27-22(18)28-5-7-29(8-6-28)23-24-12-16(13-25-23)32-14-17-4-3-9-33-17/h3-4,9-13,15H,5-8,14H2,1-2H3.
What are the key properties of 6,7-dimethoxy-4-[4-[5-(thiophen-2-ylmethoxy)pyrimidin-2-yl]piperazin-1-yl]quinazoline?
6,7-dimethoxy-4-[4-[5-(thiophen-2-ylmethoxy)pyrimidin-2-yl]piperazin-1-yl]quinazoline has a molecular weight of 464.55 g/mol, XLogP of 3.40, 7 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-4-[4-[5-(thiophen-2-ylmethoxy)pyrimidin-2-yl]piperazin-1-yl]quinazoline is sourced from PubChem (CID 86296993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).