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

C20H20N4O2 — CID 4971886

IUPAC3-butyl-4-imino-5-pyridin-3-yl-5H-chromeno[2,3-d]pyrimidin-8-ol
SMILES[H]/N=c1/c2c(ncn1CCCC)Oc1cc(O)ccc1C2c1cccnc1
InChIInChI=1S/C20H20N4O2/c1-2-3-9-24-12-23-20-18(19(24)21)17(13-5-4-8-22-11-13)15-7-6-14(25)10-16(15)26-20/h4-8,10-12,17,21,25H,2-3,9H2,1H3/b21-19-
InChIKeyIDSVDMRCJOMHHI-VZCXRCSSSA-N
MW348.41 g/mol
LogP3.55
Rot. Bonds4

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

3-butyl-4-imino-5-pyridin-3-yl-5H-chromeno[2,3-d]pyrimidin-8-ol (PubChem CID 4971886) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is 3-butyl-4-imino-5-pyridin-3-yl-5H-chromeno[2,3-d]pyrimidin-8-ol.

Molecular Properties

Compound Name3-butyl-4-imino-5-pyridin-3-yl-5H-chromeno[2,3-d]pyrimidin-8-ol
PubChem CID4971886
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name3-butyl-4-imino-5-pyridin-3-yl-5H-chromeno[2,3-d]pyrimidin-8-ol
SMILES[H]/N=c1/c2c(ncn1CCCC)Oc1cc(O)ccc1C2c1cccnc1
InChIInChI=1S/C20H20N4O2/c1-2-3-9-24-12-23-20-18(19(24)21)17(13-5-4-8-22-11-13)15-7-6-14(25)10-16(15)26-20/h4-8,10-12,17,21,25H,2-3,9H2,1H3/b21-19-
InChIKeyIDSVDMRCJOMHHI-VZCXRCSSSA-N
XLogP3.55
TPSA84.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-butyl-4-imino-5-pyridin-3-yl-5H-chromeno[2,3-d]pyrimidin-8-ol?
The IUPAC name of 3-butyl-4-imino-5-pyridin-3-yl-5H-chromeno[2,3-d]pyrimidin-8-ol (CID 4971886) is 3-butyl-4-imino-5-pyridin-3-yl-5H-chromeno[2,3-d]pyrimidin-8-ol.
What is the SMILES notation for 3-butyl-4-imino-5-pyridin-3-yl-5H-chromeno[2,3-d]pyrimidin-8-ol?
The canonical SMILES for 3-butyl-4-imino-5-pyridin-3-yl-5H-chromeno[2,3-d]pyrimidin-8-ol is [H]/N=c1/c2c(ncn1CCCC)Oc1cc(O)ccc1C2c1cccnc1.
What is the InChIKey of 3-butyl-4-imino-5-pyridin-3-yl-5H-chromeno[2,3-d]pyrimidin-8-ol?
The InChIKey is IDSVDMRCJOMHHI-VZCXRCSSSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-2-3-9-24-12-23-20-18(19(24)21)17(13-5-4-8-22-11-13)15-7-6-14(25)10-16(15)26-20/h4-8,10-12,17,21,25H,2-3,9H2,1H3/b21-19-.
What are the key properties of 3-butyl-4-imino-5-pyridin-3-yl-5H-chromeno[2,3-d]pyrimidin-8-ol?
3-butyl-4-imino-5-pyridin-3-yl-5H-chromeno[2,3-d]pyrimidin-8-ol has a molecular weight of 348.41 g/mol, XLogP of 3.55, 4 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-pyridin-3-yl-5H-chromeno[2,3-d]pyrimidin-8-ol is sourced from PubChem (CID 4971886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).