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

C22H23N3O3 — CID 3883505

IUPAC3-butyl-4-imino-5-(4-methoxyphenyl)-5H-chromeno[2,3-d]pyrimidin-8-ol
SMILES[H]/N=c1/c2c(ncn1CCCC)Oc1cc(O)ccc1C2c1ccc(OC)cc1
InChIInChI=1S/C22H23N3O3/c1-3-4-11-25-13-24-22-20(21(25)23)19(14-5-8-16(27-2)9-6-14)17-10-7-15(26)12-18(17)28-22/h5-10,12-13,19,23,26H,3-4,11H2,1-2H3/b23-21-
InChIKeyAMDPVUGSQIKTHQ-LNVKXUELSA-N
MW377.44 g/mol
LogP4.16
Rot. Bonds5

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

3-butyl-4-imino-5-(4-methoxyphenyl)-5H-chromeno[2,3-d]pyrimidin-8-ol (PubChem CID 3883505) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is 3-butyl-4-imino-5-(4-methoxyphenyl)-5H-chromeno[2,3-d]pyrimidin-8-ol.

Molecular Properties

Compound Name3-butyl-4-imino-5-(4-methoxyphenyl)-5H-chromeno[2,3-d]pyrimidin-8-ol
PubChem CID3883505
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name3-butyl-4-imino-5-(4-methoxyphenyl)-5H-chromeno[2,3-d]pyrimidin-8-ol
SMILES[H]/N=c1/c2c(ncn1CCCC)Oc1cc(O)ccc1C2c1ccc(OC)cc1
InChIInChI=1S/C22H23N3O3/c1-3-4-11-25-13-24-22-20(21(25)23)19(14-5-8-16(27-2)9-6-14)17-10-7-15(26)12-18(17)28-22/h5-10,12-13,19,23,26H,3-4,11H2,1-2H3/b23-21-
InChIKeyAMDPVUGSQIKTHQ-LNVKXUELSA-N
XLogP4.16
TPSA80.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-butyl-4-imino-5-(4-methoxyphenyl)-5H-chromeno[2,3-d]pyrimidin-8-ol with MolForge

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

Launch Full Analysis

Related Compounds

4-imino-5-(4-methoxyphenyl)-3-(2-methylpropyl)-5H-chromeno[2,3-d]pyrimidin-8-ol
CID 3919450
3-(3-hydroxypropyl)-4-imino-5-(4-methoxyphenyl)-3,5-dihydro-4H-chromeno[2,3-d]pyrimidin-8-ol
CID 4254531
3-(3-hydroxypropyl)-4-imino-5-phenyl-5H-chromeno[2,3-d]pyrimidin-8-ol
CID 4262307
5-(4-chlorophenyl)-8-methoxy-3-methyl-5H-chromeno[2,3-d]pyrimidin-4-imine
CID 71569899
5-(3,4-dimethoxyphenyl)-4-imino-3-[2-(morpholin-4-yl)ethyl]-3,5-dihydro-4H-chromeno[2,3-d]pyrimidin-8-ol
CID 3621208
5-(3,4-dimethoxyphenyl)-3-(3-hydroxypropyl)-4-imino-3,5-dihydro-4H-chromeno[2,3-d]pyrimidin-8-ol
CID 5127005
3-benzyl-5-(3,4-dimethoxyphenyl)-4-imino-3,5-dihydro-4H-chromeno[2,3-d]pyrimidin-8-ol
CID 3995011
4-imino-3-[2-(morpholin-4-yl)ethyl]-5-phenyl-3,5-dihydro-4H-chromeno[2,3-d]pyrimidin-8-ol
CID 5160683
4-imino-5-(4-methoxyphenyl)-3-[2-(morpholin-4-yl)ethyl]-3,5-dihydro-4H-chromeno[2,3-d]pyrimidin-8-ol
CID 3908705
5-(3,4-dimethoxyphenyl)-8-methoxy-3-(2-morpholin-4-ylethyl)-5H-chromeno[2,3-d]pyrimidin-4-imine
CID 44634554
4-amino-5-(4-methoxyphenyl)-2,5-dihydro-1H-chromeno[2,3-d]pyrimidin-8-ol
CID 136260052
3-Amino-5-(4-chlorophenyl)-4-imino-4,5-dihydro-3h-chromeno[2,3-d]pyrimidin-8-ol
CID 129882633

Frequently Asked Questions

What is the IUPAC name of 3-butyl-4-imino-5-(4-methoxyphenyl)-5H-chromeno[2,3-d]pyrimidin-8-ol?
The IUPAC name of 3-butyl-4-imino-5-(4-methoxyphenyl)-5H-chromeno[2,3-d]pyrimidin-8-ol (CID 3883505) is 3-butyl-4-imino-5-(4-methoxyphenyl)-5H-chromeno[2,3-d]pyrimidin-8-ol.
What is the SMILES notation for 3-butyl-4-imino-5-(4-methoxyphenyl)-5H-chromeno[2,3-d]pyrimidin-8-ol?
The canonical SMILES for 3-butyl-4-imino-5-(4-methoxyphenyl)-5H-chromeno[2,3-d]pyrimidin-8-ol is [H]/N=c1/c2c(ncn1CCCC)Oc1cc(O)ccc1C2c1ccc(OC)cc1.
What is the InChIKey of 3-butyl-4-imino-5-(4-methoxyphenyl)-5H-chromeno[2,3-d]pyrimidin-8-ol?
The InChIKey is AMDPVUGSQIKTHQ-LNVKXUELSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-3-4-11-25-13-24-22-20(21(25)23)19(14-5-8-16(27-2)9-6-14)17-10-7-15(26)12-18(17)28-22/h5-10,12-13,19,23,26H,3-4,11H2,1-2H3/b23-21-.
What are the key properties of 3-butyl-4-imino-5-(4-methoxyphenyl)-5H-chromeno[2,3-d]pyrimidin-8-ol?
3-butyl-4-imino-5-(4-methoxyphenyl)-5H-chromeno[2,3-d]pyrimidin-8-ol has a molecular weight of 377.44 g/mol, XLogP of 4.16, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-4-imino-5-(4-methoxyphenyl)-5H-chromeno[2,3-d]pyrimidin-8-ol is sourced from PubChem (CID 3883505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).