5-(4-chlorophenyl)-8-ethoxy-3-methyl-5H-chromeno[2,3-d]pyrimidin-4-imine

C20H18ClN3O2 — CID 71569901

IUPAC5-(4-chlorophenyl)-8-ethoxy-3-methyl-5H-chromeno[2,3-d]pyrimidin-4-imine
SMILES[H]/N=c1/c2c(ncn1C)Oc1cc(OCC)ccc1C2c1ccc(Cl)cc1
InChIInChI=1S/C20H18ClN3O2/c1-3-25-14-8-9-15-16(10-14)26-20-18(19(22)24(2)11-23-20)17(15)12-4-6-13(21)7-5-12/h4-11,17,22H,3H2,1-2H3/b22-19-
InChIKeyZRTMBHFAZLCRRD-QOCHGBHMSA-N
MW367.84 g/mol
LogP4.24
Rot. Bonds3

About 5-(4-chlorophenyl)-8-ethoxy-3-methyl-5H-chromeno[2,3-d]pyrimidin-4-imine

5-(4-chlorophenyl)-8-ethoxy-3-methyl-5H-chromeno[2,3-d]pyrimidin-4-imine (PubChem CID 71569901) has the molecular formula C20H18ClN3O2 and a molecular weight of 367.84 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-8-ethoxy-3-methyl-5H-chromeno[2,3-d]pyrimidin-4-imine.

Molecular Properties

Compound Name5-(4-chlorophenyl)-8-ethoxy-3-methyl-5H-chromeno[2,3-d]pyrimidin-4-imine
PubChem CID71569901
Molecular FormulaC20H18ClN3O2
Molecular Weight367.84 g/mol
Exact Mass367.11
IUPAC Name5-(4-chlorophenyl)-8-ethoxy-3-methyl-5H-chromeno[2,3-d]pyrimidin-4-imine
SMILES[H]/N=c1/c2c(ncn1C)Oc1cc(OCC)ccc1C2c1ccc(Cl)cc1
InChIInChI=1S/C20H18ClN3O2/c1-3-25-14-8-9-15-16(10-14)26-20-18(19(22)24(2)11-23-20)17(15)12-4-6-13(21)7-5-12/h4-11,17,22H,3H2,1-2H3/b22-19-
InChIKeyZRTMBHFAZLCRRD-QOCHGBHMSA-N
XLogP4.24
TPSA60.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.84
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

16-imino-18-(4-methoxyphenyl)-15-methyl-11-oxa-13,15-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2(7),3,5,8,12(17),13-heptaen-4-ol
CID 101182402
9-(4-chlorophenyl)-5-methoxy-2-oxa-12,14,15,17-tetrazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3(8),4,6,11,13,16-heptaene
CID 71570051
3-(furan-2-ylmethyl)-4-imino-5-(4-methoxyphenyl)-5H-chromeno[2,3-d]pyrimidin-8-ol
CID 4274338
(5S)-3-(2-hydroxyethyl)-4-imino-5-phenyl-5H-chromeno[2,3-d]pyrimidin-8-ol
CID 98173173
3-butyl-4-imino-5-pyridin-3-yl-5H-chromeno[2,3-d]pyrimidin-8-ol
CID 4971886
2-[13-imino-11-(4-methoxyphenyl)-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 4974258
(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
2-[(11S)-13-imino-11-(4-methoxyphenyl)-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]ethanol
CID 98169230
4-imino-3-(3-morpholin-4-ylpropyl)-5-phenyl-5H-chromeno[2,3-d]pyrimidin-8-ol
CID 4612717
3-[2-(dimethylamino)ethyl]-4-imino-5-pyridin-3-yl-5H-chromeno[2,3-d]pyrimidin-8-ol
CID 4970536
(18R)-15-benzyl-18-(4-methoxyphenyl)-11-oxa-13,15-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),13-heptaen-16-imine
CID 98176571
(5R)-3-benzyl-5-(2-chlorophenyl)-4-imino-5H-chromeno[2,3-d]pyrimidin-8-ol
CID 98199437

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-8-ethoxy-3-methyl-5H-chromeno[2,3-d]pyrimidin-4-imine?
The IUPAC name of 5-(4-chlorophenyl)-8-ethoxy-3-methyl-5H-chromeno[2,3-d]pyrimidin-4-imine (CID 71569901) is 5-(4-chlorophenyl)-8-ethoxy-3-methyl-5H-chromeno[2,3-d]pyrimidin-4-imine.
What is the SMILES notation for 5-(4-chlorophenyl)-8-ethoxy-3-methyl-5H-chromeno[2,3-d]pyrimidin-4-imine?
The canonical SMILES for 5-(4-chlorophenyl)-8-ethoxy-3-methyl-5H-chromeno[2,3-d]pyrimidin-4-imine is [H]/N=c1/c2c(ncn1C)Oc1cc(OCC)ccc1C2c1ccc(Cl)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-8-ethoxy-3-methyl-5H-chromeno[2,3-d]pyrimidin-4-imine?
The InChIKey is ZRTMBHFAZLCRRD-QOCHGBHMSA-N. The full InChI is InChI=1S/C20H18ClN3O2/c1-3-25-14-8-9-15-16(10-14)26-20-18(19(22)24(2)11-23-20)17(15)12-4-6-13(21)7-5-12/h4-11,17,22H,3H2,1-2H3/b22-19-.
What are the key properties of 5-(4-chlorophenyl)-8-ethoxy-3-methyl-5H-chromeno[2,3-d]pyrimidin-4-imine?
5-(4-chlorophenyl)-8-ethoxy-3-methyl-5H-chromeno[2,3-d]pyrimidin-4-imine has a molecular weight of 367.84 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-8-ethoxy-3-methyl-5H-chromeno[2,3-d]pyrimidin-4-imine is sourced from PubChem (CID 71569901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).