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

C20H19N3O3 — CID 4262307

IUPAC3-(3-hydroxypropyl)-4-imino-5-phenyl-5H-chromeno[2,3-d]pyrimidin-8-ol
SMILES[H]/N=c1/c2c(ncn1CCCO)Oc1cc(O)ccc1C2c1ccccc1
InChIInChI=1S/C20H19N3O3/c21-19-18-17(13-5-2-1-3-6-13)15-8-7-14(25)11-16(15)26-20(18)22-12-23(19)9-4-10-24/h1-3,5-8,11-12,17,21,24-25H,4,9-10H2/b21-19-
InChIKeyBLKAFDNEYZHCCO-VZCXRCSSSA-N
MW349.39 g/mol
LogP2.74
Rot. Bonds4

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

3-(3-hydroxypropyl)-4-imino-5-phenyl-5H-chromeno[2,3-d]pyrimidin-8-ol (PubChem CID 4262307) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is 3-(3-hydroxypropyl)-4-imino-5-phenyl-5H-chromeno[2,3-d]pyrimidin-8-ol.

Molecular Properties

Compound Name3-(3-hydroxypropyl)-4-imino-5-phenyl-5H-chromeno[2,3-d]pyrimidin-8-ol
PubChem CID4262307
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC Name3-(3-hydroxypropyl)-4-imino-5-phenyl-5H-chromeno[2,3-d]pyrimidin-8-ol
SMILES[H]/N=c1/c2c(ncn1CCCO)Oc1cc(O)ccc1C2c1ccccc1
InChIInChI=1S/C20H19N3O3/c21-19-18-17(13-5-2-1-3-6-13)15-8-7-14(25)11-16(15)26-20(18)22-12-23(19)9-4-10-24/h1-3,5-8,11-12,17,21,24-25H,4,9-10H2/b21-19-
InChIKeyBLKAFDNEYZHCCO-VZCXRCSSSA-N
XLogP2.74
TPSA91.36 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 52.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxypropyl)-4-imino-5-phenyl-5H-chromeno[2,3-d]pyrimidin-8-ol?
The IUPAC name of 3-(3-hydroxypropyl)-4-imino-5-phenyl-5H-chromeno[2,3-d]pyrimidin-8-ol (CID 4262307) is 3-(3-hydroxypropyl)-4-imino-5-phenyl-5H-chromeno[2,3-d]pyrimidin-8-ol.
What is the SMILES notation for 3-(3-hydroxypropyl)-4-imino-5-phenyl-5H-chromeno[2,3-d]pyrimidin-8-ol?
The canonical SMILES for 3-(3-hydroxypropyl)-4-imino-5-phenyl-5H-chromeno[2,3-d]pyrimidin-8-ol is [H]/N=c1/c2c(ncn1CCCO)Oc1cc(O)ccc1C2c1ccccc1.
What is the InChIKey of 3-(3-hydroxypropyl)-4-imino-5-phenyl-5H-chromeno[2,3-d]pyrimidin-8-ol?
The InChIKey is BLKAFDNEYZHCCO-VZCXRCSSSA-N. The full InChI is InChI=1S/C20H19N3O3/c21-19-18-17(13-5-2-1-3-6-13)15-8-7-14(25)11-16(15)26-20(18)22-12-23(19)9-4-10-24/h1-3,5-8,11-12,17,21,24-25H,4,9-10H2/b21-19-.
What are the key properties of 3-(3-hydroxypropyl)-4-imino-5-phenyl-5H-chromeno[2,3-d]pyrimidin-8-ol?
3-(3-hydroxypropyl)-4-imino-5-phenyl-5H-chromeno[2,3-d]pyrimidin-8-ol has a molecular weight of 349.39 g/mol, XLogP of 2.74, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxypropyl)-4-imino-5-phenyl-5H-chromeno[2,3-d]pyrimidin-8-ol is sourced from PubChem (CID 4262307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).