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

C19H17N3O3 — CID 98173173

IUPAC(5S)-3-(2-hydroxyethyl)-4-imino-5-phenyl-5H-chromeno[2,3-d]pyrimidin-8-ol
SMILES[H]/N=c1/c2c(ncn1CCO)Oc1cc(O)ccc1[C@@H]2c1ccccc1
InChIInChI=1S/C19H17N3O3/c20-18-17-16(12-4-2-1-3-5-12)14-7-6-13(24)10-15(14)25-19(17)21-11-22(18)8-9-23/h1-7,10-11,16,20,23-24H,8-9H2/b20-18-/t16-/m0/s1
InChIKeyRYYHGLMILQQEME-MXLIYFDZSA-N
MW335.36 g/mol
LogP2.35
Rot. Bonds3

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

(5S)-3-(2-hydroxyethyl)-4-imino-5-phenyl-5H-chromeno[2,3-d]pyrimidin-8-ol (PubChem CID 98173173) has the molecular formula C19H17N3O3 and a molecular weight of 335.36 g/mol. Its IUPAC name is (5S)-3-(2-hydroxyethyl)-4-imino-5-phenyl-5H-chromeno[2,3-d]pyrimidin-8-ol.

Molecular Properties

Compound Name(5S)-3-(2-hydroxyethyl)-4-imino-5-phenyl-5H-chromeno[2,3-d]pyrimidin-8-ol
PubChem CID98173173
Molecular FormulaC19H17N3O3
Molecular Weight335.36 g/mol
Exact Mass335.13
IUPAC Name(5S)-3-(2-hydroxyethyl)-4-imino-5-phenyl-5H-chromeno[2,3-d]pyrimidin-8-ol
SMILES[H]/N=c1/c2c(ncn1CCO)Oc1cc(O)ccc1[C@@H]2c1ccccc1
InChIInChI=1S/C19H17N3O3/c20-18-17-16(12-4-2-1-3-5-12)14-7-6-13(24)10-15(14)25-19(17)21-11-22(18)8-9-23/h1-7,10-11,16,20,23-24H,8-9H2/b20-18-/t16-/m0/s1
InChIKeyRYYHGLMILQQEME-MXLIYFDZSA-N
XLogP2.35
TPSA91.36 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-imino-3-(3-morpholin-4-ylpropyl)-5-phenyl-5H-chromeno[2,3-d]pyrimidin-8-ol
CID 4612717
3-(3-hydroxypropyl)-4-imino-5-pyridin-3-yl-5H-chromeno[2,3-d]pyrimidin-8-ol
CID 4901173
3-butyl-4-imino-5-pyridin-3-yl-5H-chromeno[2,3-d]pyrimidin-8-ol
CID 4971886
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
3-[(11R)-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]propan-1-ol
CID 98118963
3-(furan-2-ylmethyl)-4-imino-5-(4-methoxyphenyl)-5H-chromeno[2,3-d]pyrimidin-8-ol
CID 4274338
3-(16-imino-18-phenyl-11-oxa-13,15-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),13-heptaen-15-yl)propan-1-ol
CID 4556252
3-(10-imino-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-11-yl)propan-1-ol
CID 3749665
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
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

Frequently Asked Questions

What is the IUPAC name of (5S)-3-(2-hydroxyethyl)-4-imino-5-phenyl-5H-chromeno[2,3-d]pyrimidin-8-ol?
The IUPAC name of (5S)-3-(2-hydroxyethyl)-4-imino-5-phenyl-5H-chromeno[2,3-d]pyrimidin-8-ol (CID 98173173) is (5S)-3-(2-hydroxyethyl)-4-imino-5-phenyl-5H-chromeno[2,3-d]pyrimidin-8-ol.
What is the SMILES notation for (5S)-3-(2-hydroxyethyl)-4-imino-5-phenyl-5H-chromeno[2,3-d]pyrimidin-8-ol?
The canonical SMILES for (5S)-3-(2-hydroxyethyl)-4-imino-5-phenyl-5H-chromeno[2,3-d]pyrimidin-8-ol is [H]/N=c1/c2c(ncn1CCO)Oc1cc(O)ccc1[C@@H]2c1ccccc1.
What is the InChIKey of (5S)-3-(2-hydroxyethyl)-4-imino-5-phenyl-5H-chromeno[2,3-d]pyrimidin-8-ol?
The InChIKey is RYYHGLMILQQEME-MXLIYFDZSA-N. The full InChI is InChI=1S/C19H17N3O3/c20-18-17-16(12-4-2-1-3-5-12)14-7-6-13(24)10-15(14)25-19(17)21-11-22(18)8-9-23/h1-7,10-11,16,20,23-24H,8-9H2/b20-18-/t16-/m0/s1.
What are the key properties of (5S)-3-(2-hydroxyethyl)-4-imino-5-phenyl-5H-chromeno[2,3-d]pyrimidin-8-ol?
(5S)-3-(2-hydroxyethyl)-4-imino-5-phenyl-5H-chromeno[2,3-d]pyrimidin-8-ol has a molecular weight of 335.36 g/mol, XLogP of 2.35, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-(2-hydroxyethyl)-4-imino-5-phenyl-5H-chromeno[2,3-d]pyrimidin-8-ol is sourced from PubChem (CID 98173173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).