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

C24H26N4O3 — CID 4612717

IUPAC4-imino-3-(3-morpholin-4-ylpropyl)-5-phenyl-5H-chromeno[2,3-d]pyrimidin-8-ol
SMILES[H]/N=c1/c2c(ncn1CCCN1CCOCC1)Oc1cc(O)ccc1C2c1ccccc1
InChIInChI=1S/C24H26N4O3/c25-23-22-21(17-5-2-1-3-6-17)19-8-7-18(29)15-20(19)31-24(22)26-16-28(23)10-4-9-27-11-13-30-14-12-27/h1-3,5-8,15-16,21,25,29H,4,9-14H2/b25-23-
InChIKeyQRNMKPDJCRZKOT-BZZOAKBMSA-N
MW418.50 g/mol
LogP3.08
Rot. Bonds5

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

4-imino-3-(3-morpholin-4-ylpropyl)-5-phenyl-5H-chromeno[2,3-d]pyrimidin-8-ol (PubChem CID 4612717) has the molecular formula C24H26N4O3 and a molecular weight of 418.50 g/mol. Its IUPAC name is 4-imino-3-(3-morpholin-4-ylpropyl)-5-phenyl-5H-chromeno[2,3-d]pyrimidin-8-ol.

Molecular Properties

Compound Name4-imino-3-(3-morpholin-4-ylpropyl)-5-phenyl-5H-chromeno[2,3-d]pyrimidin-8-ol
PubChem CID4612717
Molecular FormulaC24H26N4O3
Molecular Weight418.50 g/mol
Exact Mass418.20
IUPAC Name4-imino-3-(3-morpholin-4-ylpropyl)-5-phenyl-5H-chromeno[2,3-d]pyrimidin-8-ol
SMILES[H]/N=c1/c2c(ncn1CCCN1CCOCC1)Oc1cc(O)ccc1C2c1ccccc1
InChIInChI=1S/C24H26N4O3/c25-23-22-21(17-5-2-1-3-6-17)19-8-7-18(29)15-20(19)31-24(22)26-16-28(23)10-4-9-27-11-13-30-14-12-27/h1-3,5-8,15-16,21,25,29H,4,9-14H2/b25-23-
InChIKeyQRNMKPDJCRZKOT-BZZOAKBMSA-N
XLogP3.08
TPSA83.60 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-(3-hydroxypropyl)-4-imino-5-pyridin-3-yl-5H-chromeno[2,3-d]pyrimidin-8-ol
CID 4901173
3-[2-(dimethylamino)ethyl]-4-imino-5-pyridin-3-yl-5H-chromeno[2,3-d]pyrimidin-8-ol
CID 4970536
(5R)-3-benzyl-5-(2-chlorophenyl)-4-imino-5H-chromeno[2,3-d]pyrimidin-8-ol
CID 98199437
2-(13-imino-11-phenyl-18-oxa-14,16-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),15-heptaen-14-yl)-N,N-dimethylethanamine
CID 4971787
(9S)-13-(3-hydroxynaphthalen-2-yl)-9-phenyl-2-oxa-12,14,15,17-tetrazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3(8),4,6,11,13,16-heptaen-5-ol
CID 136800465
11-(3-imidazol-1-ylpropyl)-6-methyl-4,8-diphenyl-2-oxa-4,5,11,13-tetrazatricyclo[7.4.0.03,7]trideca-1(9),3(7),5,12-tetraen-10-imine
CID 4993587
(9S)-13-[(4-chlorophenoxy)methyl]-9-phenyl-2-oxa-12,14,15,17-tetrazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3(8),4,6,11,13,16-heptaen-5-ol
CID 40964740
(9S)-13-[4-(dimethylamino)phenyl]-9-phenyl-2-oxa-12,14,15,17-tetrazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3(8),4,6,11,13,16-heptaen-5-ol
CID 40965017
13-[(3,4-dimethoxyphenyl)methyl]-9-phenyl-2-oxa-12,14,15,17-tetrazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3(8),4,6,11,13,16-heptaen-5-ol
CID 3766657
(5S)-4-amino-5-(furan-2-yl)-3-(2-morpholin-4-ylethyl)-5H-chromeno[2,3-d]pyrimidin-3-ium-8-ol
CID 7642031
(9S)-13-[[(Z)-1-(4-methoxyphenyl)ethylideneamino]oxymethyl]-9-phenyl-2-oxa-12,14,15,17-tetrazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3(8),4,6,11,13,16-heptaen-5-ol
CID 28693770
(9S)-9-(4-methoxyphenyl)-13-phenyl-2-oxa-12,14,15,17-tetrazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3(8),4,6,11,13,16-heptaen-5-ol
CID 40954823

Frequently Asked Questions

What is the IUPAC name of 4-imino-3-(3-morpholin-4-ylpropyl)-5-phenyl-5H-chromeno[2,3-d]pyrimidin-8-ol?
The IUPAC name of 4-imino-3-(3-morpholin-4-ylpropyl)-5-phenyl-5H-chromeno[2,3-d]pyrimidin-8-ol (CID 4612717) is 4-imino-3-(3-morpholin-4-ylpropyl)-5-phenyl-5H-chromeno[2,3-d]pyrimidin-8-ol.
What is the SMILES notation for 4-imino-3-(3-morpholin-4-ylpropyl)-5-phenyl-5H-chromeno[2,3-d]pyrimidin-8-ol?
The canonical SMILES for 4-imino-3-(3-morpholin-4-ylpropyl)-5-phenyl-5H-chromeno[2,3-d]pyrimidin-8-ol is [H]/N=c1/c2c(ncn1CCCN1CCOCC1)Oc1cc(O)ccc1C2c1ccccc1.
What is the InChIKey of 4-imino-3-(3-morpholin-4-ylpropyl)-5-phenyl-5H-chromeno[2,3-d]pyrimidin-8-ol?
The InChIKey is QRNMKPDJCRZKOT-BZZOAKBMSA-N. The full InChI is InChI=1S/C24H26N4O3/c25-23-22-21(17-5-2-1-3-6-17)19-8-7-18(29)15-20(19)31-24(22)26-16-28(23)10-4-9-27-11-13-30-14-12-27/h1-3,5-8,15-16,21,25,29H,4,9-14H2/b25-23-.
What are the key properties of 4-imino-3-(3-morpholin-4-ylpropyl)-5-phenyl-5H-chromeno[2,3-d]pyrimidin-8-ol?
4-imino-3-(3-morpholin-4-ylpropyl)-5-phenyl-5H-chromeno[2,3-d]pyrimidin-8-ol has a molecular weight of 418.50 g/mol, XLogP of 3.08, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imino-3-(3-morpholin-4-ylpropyl)-5-phenyl-5H-chromeno[2,3-d]pyrimidin-8-ol is sourced from PubChem (CID 4612717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).