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

C20H21N5O2 — CID 4970536

IUPAC3-[2-(dimethylamino)ethyl]-4-imino-5-pyridin-3-yl-5H-chromeno[2,3-d]pyrimidin-8-ol
SMILES[H]/N=c1/c2c(ncn1CCN(C)C)Oc1cc(O)ccc1C2c1cccnc1
InChIInChI=1S/C20H21N5O2/c1-24(2)8-9-25-12-23-20-18(19(25)21)17(13-4-3-7-22-11-13)15-6-5-14(26)10-16(15)27-20/h3-7,10-12,17,21,26H,8-9H2,1-2H3/b21-19-
InChIKeyVWGMUHKFISOFLK-VZCXRCSSSA-N
MW363.42 g/mol
LogP2.31
Rot. Bonds4

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

3-[2-(dimethylamino)ethyl]-4-imino-5-pyridin-3-yl-5H-chromeno[2,3-d]pyrimidin-8-ol (PubChem CID 4970536) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is 3-[2-(dimethylamino)ethyl]-4-imino-5-pyridin-3-yl-5H-chromeno[2,3-d]pyrimidin-8-ol.

Molecular Properties

Compound Name3-[2-(dimethylamino)ethyl]-4-imino-5-pyridin-3-yl-5H-chromeno[2,3-d]pyrimidin-8-ol
PubChem CID4970536
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC Name3-[2-(dimethylamino)ethyl]-4-imino-5-pyridin-3-yl-5H-chromeno[2,3-d]pyrimidin-8-ol
SMILES[H]/N=c1/c2c(ncn1CCN(C)C)Oc1cc(O)ccc1C2c1cccnc1
InChIInChI=1S/C20H21N5O2/c1-24(2)8-9-25-12-23-20-18(19(25)21)17(13-4-3-7-22-11-13)15-6-5-14(26)10-16(15)27-20/h3-7,10-12,17,21,26H,8-9H2,1-2H3/b21-19-
InChIKeyVWGMUHKFISOFLK-VZCXRCSSSA-N
XLogP2.31
TPSA87.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylamino)ethyl]-4-imino-5-pyridin-3-yl-5H-chromeno[2,3-d]pyrimidin-8-ol?
The IUPAC name of 3-[2-(dimethylamino)ethyl]-4-imino-5-pyridin-3-yl-5H-chromeno[2,3-d]pyrimidin-8-ol (CID 4970536) is 3-[2-(dimethylamino)ethyl]-4-imino-5-pyridin-3-yl-5H-chromeno[2,3-d]pyrimidin-8-ol.
What is the SMILES notation for 3-[2-(dimethylamino)ethyl]-4-imino-5-pyridin-3-yl-5H-chromeno[2,3-d]pyrimidin-8-ol?
The canonical SMILES for 3-[2-(dimethylamino)ethyl]-4-imino-5-pyridin-3-yl-5H-chromeno[2,3-d]pyrimidin-8-ol is [H]/N=c1/c2c(ncn1CCN(C)C)Oc1cc(O)ccc1C2c1cccnc1.
What is the InChIKey of 3-[2-(dimethylamino)ethyl]-4-imino-5-pyridin-3-yl-5H-chromeno[2,3-d]pyrimidin-8-ol?
The InChIKey is VWGMUHKFISOFLK-VZCXRCSSSA-N. The full InChI is InChI=1S/C20H21N5O2/c1-24(2)8-9-25-12-23-20-18(19(25)21)17(13-4-3-7-22-11-13)15-6-5-14(26)10-16(15)27-20/h3-7,10-12,17,21,26H,8-9H2,1-2H3/b21-19-.
What are the key properties of 3-[2-(dimethylamino)ethyl]-4-imino-5-pyridin-3-yl-5H-chromeno[2,3-d]pyrimidin-8-ol?
3-[2-(dimethylamino)ethyl]-4-imino-5-pyridin-3-yl-5H-chromeno[2,3-d]pyrimidin-8-ol has a molecular weight of 363.42 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylamino)ethyl]-4-imino-5-pyridin-3-yl-5H-chromeno[2,3-d]pyrimidin-8-ol is sourced from PubChem (CID 4970536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).