4-imino-5-(4-methoxyphenyl)-3-(2-morpholin-4-ylethyl)-5H-chromeno[2,3-d]pyrimidin-8-ol

C24H26N4O4 — CID 3908705

IUPAC4-imino-5-(4-methoxyphenyl)-3-(2-morpholin-4-ylethyl)-5H-chromeno[2,3-d]pyrimidin-8-ol
SMILES[H]/N=c1/c2c(ncn1CCN1CCOCC1)Oc1cc(O)ccc1C2c1ccc(OC)cc1
InChIInChI=1S/C24H26N4O4/c1-30-18-5-2-16(3-6-18)21-19-7-4-17(29)14-20(19)32-24-22(21)23(25)28(15-26-24)9-8-27-10-12-31-13-11-27/h2-7,14-15,21,25,29H,8-13H2,1H3/b25-23-
InChIKeyFDXVOSXBDXZUEX-BZZOAKBMSA-N
MW434.50 g/mol
LogP2.69
Rot. Bonds5

About 4-imino-5-(4-methoxyphenyl)-3-(2-morpholin-4-ylethyl)-5H-chromeno[2,3-d]pyrimidin-8-ol

4-imino-5-(4-methoxyphenyl)-3-(2-morpholin-4-ylethyl)-5H-chromeno[2,3-d]pyrimidin-8-ol (PubChem CID 3908705) has the molecular formula C24H26N4O4 and a molecular weight of 434.50 g/mol. Its IUPAC name is 4-imino-5-(4-methoxyphenyl)-3-(2-morpholin-4-ylethyl)-5H-chromeno[2,3-d]pyrimidin-8-ol.

Molecular Properties

Compound Name4-imino-5-(4-methoxyphenyl)-3-(2-morpholin-4-ylethyl)-5H-chromeno[2,3-d]pyrimidin-8-ol
PubChem CID3908705
Molecular FormulaC24H26N4O4
Molecular Weight434.50 g/mol
Exact Mass434.20
IUPAC Name4-imino-5-(4-methoxyphenyl)-3-(2-morpholin-4-ylethyl)-5H-chromeno[2,3-d]pyrimidin-8-ol
SMILES[H]/N=c1/c2c(ncn1CCN1CCOCC1)Oc1cc(O)ccc1C2c1ccc(OC)cc1
InChIInChI=1S/C24H26N4O4/c1-30-18-5-2-16(3-6-18)21-19-7-4-17(29)14-20(19)32-24-22(21)23(25)28(15-26-24)9-8-27-10-12-31-13-11-27/h2-7,14-15,21,25,29H,8-13H2,1H3/b25-23-
InChIKeyFDXVOSXBDXZUEX-BZZOAKBMSA-N
XLogP2.69
TPSA92.83 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.50
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-imino-5-(4-methoxyphenyl)-3-(2-morpholin-4-ylethyl)-5H-chromeno[2,3-d]pyrimidin-8-ol?
The IUPAC name of 4-imino-5-(4-methoxyphenyl)-3-(2-morpholin-4-ylethyl)-5H-chromeno[2,3-d]pyrimidin-8-ol (CID 3908705) is 4-imino-5-(4-methoxyphenyl)-3-(2-morpholin-4-ylethyl)-5H-chromeno[2,3-d]pyrimidin-8-ol.
What is the SMILES notation for 4-imino-5-(4-methoxyphenyl)-3-(2-morpholin-4-ylethyl)-5H-chromeno[2,3-d]pyrimidin-8-ol?
The canonical SMILES for 4-imino-5-(4-methoxyphenyl)-3-(2-morpholin-4-ylethyl)-5H-chromeno[2,3-d]pyrimidin-8-ol is [H]/N=c1/c2c(ncn1CCN1CCOCC1)Oc1cc(O)ccc1C2c1ccc(OC)cc1.
What is the InChIKey of 4-imino-5-(4-methoxyphenyl)-3-(2-morpholin-4-ylethyl)-5H-chromeno[2,3-d]pyrimidin-8-ol?
The InChIKey is FDXVOSXBDXZUEX-BZZOAKBMSA-N. The full InChI is InChI=1S/C24H26N4O4/c1-30-18-5-2-16(3-6-18)21-19-7-4-17(29)14-20(19)32-24-22(21)23(25)28(15-26-24)9-8-27-10-12-31-13-11-27/h2-7,14-15,21,25,29H,8-13H2,1H3/b25-23-.
What are the key properties of 4-imino-5-(4-methoxyphenyl)-3-(2-morpholin-4-ylethyl)-5H-chromeno[2,3-d]pyrimidin-8-ol?
4-imino-5-(4-methoxyphenyl)-3-(2-morpholin-4-ylethyl)-5H-chromeno[2,3-d]pyrimidin-8-ol has a molecular weight of 434.50 g/mol, XLogP of 2.69, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imino-5-(4-methoxyphenyl)-3-(2-morpholin-4-ylethyl)-5H-chromeno[2,3-d]pyrimidin-8-ol is sourced from PubChem (CID 3908705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).