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

C19H18N4O3 — CID 4901173

IUPAC3-(3-hydroxypropyl)-4-imino-5-pyridin-3-yl-5H-chromeno[2,3-d]pyrimidin-8-ol
SMILES[H]/N=c1/c2c(ncn1CCCO)Oc1cc(O)ccc1C2c1cccnc1
InChIInChI=1S/C19H18N4O3/c20-18-17-16(12-3-1-6-21-10-12)14-5-4-13(25)9-15(14)26-19(17)22-11-23(18)7-2-8-24/h1,3-6,9-11,16,20,24-25H,2,7-8H2/b20-18-
InChIKeyLZDHJFSOOVFMGG-ZZEZOPTASA-N
MW350.38 g/mol
LogP2.13
Rot. Bonds4

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

3-(3-hydroxypropyl)-4-imino-5-pyridin-3-yl-5H-chromeno[2,3-d]pyrimidin-8-ol (PubChem CID 4901173) has the molecular formula C19H18N4O3 and a molecular weight of 350.38 g/mol. Its IUPAC name is 3-(3-hydroxypropyl)-4-imino-5-pyridin-3-yl-5H-chromeno[2,3-d]pyrimidin-8-ol.

Molecular Properties

Compound Name3-(3-hydroxypropyl)-4-imino-5-pyridin-3-yl-5H-chromeno[2,3-d]pyrimidin-8-ol
PubChem CID4901173
Molecular FormulaC19H18N4O3
Molecular Weight350.38 g/mol
Exact Mass350.14
IUPAC Name3-(3-hydroxypropyl)-4-imino-5-pyridin-3-yl-5H-chromeno[2,3-d]pyrimidin-8-ol
SMILES[H]/N=c1/c2c(ncn1CCCO)Oc1cc(O)ccc1C2c1cccnc1
InChIInChI=1S/C19H18N4O3/c20-18-17-16(12-3-1-6-21-10-12)14-5-4-13(25)9-15(14)26-19(17)22-11-23(18)7-2-8-24/h1,3-6,9-11,16,20,24-25H,2,7-8H2/b20-18-
InChIKeyLZDHJFSOOVFMGG-ZZEZOPTASA-N
XLogP2.13
TPSA104.25 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxypropyl)-4-imino-5-pyridin-3-yl-5H-chromeno[2,3-d]pyrimidin-8-ol?
The IUPAC name of 3-(3-hydroxypropyl)-4-imino-5-pyridin-3-yl-5H-chromeno[2,3-d]pyrimidin-8-ol (CID 4901173) is 3-(3-hydroxypropyl)-4-imino-5-pyridin-3-yl-5H-chromeno[2,3-d]pyrimidin-8-ol.
What is the SMILES notation for 3-(3-hydroxypropyl)-4-imino-5-pyridin-3-yl-5H-chromeno[2,3-d]pyrimidin-8-ol?
The canonical SMILES for 3-(3-hydroxypropyl)-4-imino-5-pyridin-3-yl-5H-chromeno[2,3-d]pyrimidin-8-ol is [H]/N=c1/c2c(ncn1CCCO)Oc1cc(O)ccc1C2c1cccnc1.
What is the InChIKey of 3-(3-hydroxypropyl)-4-imino-5-pyridin-3-yl-5H-chromeno[2,3-d]pyrimidin-8-ol?
The InChIKey is LZDHJFSOOVFMGG-ZZEZOPTASA-N. The full InChI is InChI=1S/C19H18N4O3/c20-18-17-16(12-3-1-6-21-10-12)14-5-4-13(25)9-15(14)26-19(17)22-11-23(18)7-2-8-24/h1,3-6,9-11,16,20,24-25H,2,7-8H2/b20-18-.
What are the key properties of 3-(3-hydroxypropyl)-4-imino-5-pyridin-3-yl-5H-chromeno[2,3-d]pyrimidin-8-ol?
3-(3-hydroxypropyl)-4-imino-5-pyridin-3-yl-5H-chromeno[2,3-d]pyrimidin-8-ol has a molecular weight of 350.38 g/mol, XLogP of 2.13, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxypropyl)-4-imino-5-pyridin-3-yl-5H-chromeno[2,3-d]pyrimidin-8-ol is sourced from PubChem (CID 4901173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).