2-[4-(dimethylamino)-5H-chromeno[2,3-d]pyrimidin-2-yl]phenol

C19H17N3O2 — CID 136701668

IUPAC2-[4-(dimethylamino)-5H-chromeno[2,3-d]pyrimidin-2-yl]phenol
SMILESCN(C)c1nc(-c2ccccc2O)nc2c1Cc1ccccc1O2
InChIInChI=1S/C19H17N3O2/c1-22(2)18-14-11-12-7-3-6-10-16(12)24-19(14)21-17(20-18)13-8-4-5-9-15(13)23/h3-10,23H,11H2,1-2H3
InChIKeyAMFSQCYDRSLFFZ-UHFFFAOYSA-N
MW319.36 g/mol
LogP3.61
Rot. Bonds2

About 2-[4-(dimethylamino)-5H-chromeno[2,3-d]pyrimidin-2-yl]phenol

2-[4-(dimethylamino)-5H-chromeno[2,3-d]pyrimidin-2-yl]phenol (PubChem CID 136701668) has the molecular formula C19H17N3O2 and a molecular weight of 319.36 g/mol. Its IUPAC name is 2-[4-(dimethylamino)-5H-chromeno[2,3-d]pyrimidin-2-yl]phenol.

Molecular Properties

Compound Name2-[4-(dimethylamino)-5H-chromeno[2,3-d]pyrimidin-2-yl]phenol
PubChem CID136701668
Molecular FormulaC19H17N3O2
Molecular Weight319.36 g/mol
Exact Mass319.13
IUPAC Name2-[4-(dimethylamino)-5H-chromeno[2,3-d]pyrimidin-2-yl]phenol
SMILESCN(C)c1nc(-c2ccccc2O)nc2c1Cc1ccccc1O2
InChIInChI=1S/C19H17N3O2/c1-22(2)18-14-11-12-7-3-6-10-16(12)24-19(14)21-17(20-18)13-8-4-5-9-15(13)23/h3-10,23H,11H2,1-2H3
InChIKeyAMFSQCYDRSLFFZ-UHFFFAOYSA-N
XLogP3.61
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(7-chloro-4-piperidin-1-yl-5H-chromeno[2,3-d]pyrimidin-2-yl)phenol
CID 137147538
2-(4,9-dimethoxy-5H-chromeno[2,3-d]pyrimidin-2-yl)phenol
CID 136861327
biphenylene;9H-xanthene
CID 69049558
2-(4-fluorophenyl)-4-methylsulfanyl-5H-chromeno[2,3-d]pyrimidine
CID 20874781
5-methoxy-2-(8-methoxy-4-phenylsulfanyl-5H-chromeno[2,3-d]pyrimidin-2-yl)phenol
CID 139225918
N,N-dimethyl-4-(9H-xanthen-1-yl)aniline
CID 70613231
9H-xanthene
CID 7107
3-(2-methoxyphenyl)-9H-xanthen-1-ol
CID 151188423
9H-xanthen-4-ol
CID 12554333
1-naphthalen-1-yl-9H-xanthene
CID 90993396
trimethyl(9H-xanthen-1-yl)silane
CID 175828313
4-benzylsulfanyl-2-(4-methylphenyl)-5H-chromeno[2,3-d]pyrimidine
CID 7184550

Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylamino)-5H-chromeno[2,3-d]pyrimidin-2-yl]phenol?
The IUPAC name of 2-[4-(dimethylamino)-5H-chromeno[2,3-d]pyrimidin-2-yl]phenol (CID 136701668) is 2-[4-(dimethylamino)-5H-chromeno[2,3-d]pyrimidin-2-yl]phenol.
What is the SMILES notation for 2-[4-(dimethylamino)-5H-chromeno[2,3-d]pyrimidin-2-yl]phenol?
The canonical SMILES for 2-[4-(dimethylamino)-5H-chromeno[2,3-d]pyrimidin-2-yl]phenol is CN(C)c1nc(-c2ccccc2O)nc2c1Cc1ccccc1O2.
What is the InChIKey of 2-[4-(dimethylamino)-5H-chromeno[2,3-d]pyrimidin-2-yl]phenol?
The InChIKey is AMFSQCYDRSLFFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2/c1-22(2)18-14-11-12-7-3-6-10-16(12)24-19(14)21-17(20-18)13-8-4-5-9-15(13)23/h3-10,23H,11H2,1-2H3.
What are the key properties of 2-[4-(dimethylamino)-5H-chromeno[2,3-d]pyrimidin-2-yl]phenol?
2-[4-(dimethylamino)-5H-chromeno[2,3-d]pyrimidin-2-yl]phenol has a molecular weight of 319.36 g/mol, XLogP of 3.61, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylamino)-5H-chromeno[2,3-d]pyrimidin-2-yl]phenol is sourced from PubChem (CID 136701668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).