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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Related Compounds

3-(3-hydroxypropyl)-4-imino-5-pyridin-3-yl-5H-chromeno[2,3-d]pyrimidin-8-ol
CID 4901173
3-[2-(dimethylamino)ethyl]-4-imino-5-pyridin-3-yl-5H-chromeno[2,3-d]pyrimidin-8-ol
CID 4970536
(5S)-3-(2-hydroxyethyl)-4-imino-5-phenyl-5H-chromeno[2,3-d]pyrimidin-8-ol
CID 98173173
4-imino-3-(3-morpholin-4-ylpropyl)-5-phenyl-5H-chromeno[2,3-d]pyrimidin-8-ol
CID 4612717
(9R)-13-(3-methylphenyl)-9-pyridin-3-yl-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 7645263
N,N-diethyl-2-(16-imino-18-pyridin-3-yl-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)ethanamine
CID 4899703
13-(phenoxymethyl)-9-pyridin-3-yl-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 4895668
(9R)-13-(phenoxymethyl)-9-pyridin-3-yl-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 40893908
9-pyridin-3-yl-13-pyridin-4-yl-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 4898573
13-(furan-2-yl)-9-pyridin-3-yl-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 4970521
13-[4-(dimethylamino)phenyl]-9-pyridin-3-yl-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 4974526
3-(furan-2-ylmethyl)-4-imino-5-(4-methoxyphenyl)-5H-chromeno[2,3-d]pyrimidin-8-ol
CID 4274338

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).