4-(3,4-dihydro-2H-chromen-4-ylmethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine

C17H19N3O — CID 106781117

IUPAC4-(3,4-dihydro-2H-chromen-4-ylmethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
SMILESc1ccc2c(c1)OCCC2Cc1ncnc2c1CNCC2
InChIInChI=1S/C17H19N3O/c1-2-4-17-13(3-1)12(6-8-21-17)9-16-14-10-18-7-5-15(14)19-11-20-16/h1-4,11-12,18H,5-10H2
InChIKeyGGWHQFFSZRAGFM-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.23
Rot. Bonds2

About 4-(3,4-dihydro-2H-chromen-4-ylmethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine

4-(3,4-dihydro-2H-chromen-4-ylmethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine (PubChem CID 106781117) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 4-(3,4-dihydro-2H-chromen-4-ylmethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name4-(3,4-dihydro-2H-chromen-4-ylmethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
PubChem CID106781117
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name4-(3,4-dihydro-2H-chromen-4-ylmethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
SMILESc1ccc2c(c1)OCCC2Cc1ncnc2c1CNCC2
InChIInChI=1S/C17H19N3O/c1-2-4-17-13(3-1)12(6-8-21-17)9-16-14-10-18-7-5-15(14)19-11-20-16/h1-4,11-12,18H,5-10H2
InChIKeyGGWHQFFSZRAGFM-UHFFFAOYSA-N
XLogP2.23
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(cyclopropylmethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 102612202
[(4R)-3,4-dihydro-2H-chromen-4-yl]methanamine
CID 51887493
[(4S)-3,4-dihydro-2H-chromen-4-yl]methanamine
CID 51887495
3-(3,4-dihydro-2H-chromen-4-ylmethyl)piperidin-4-one
CID 114451510
(4R)-4-(iodomethyl)-3,4-dihydro-2H-chromene
CID 92908096
ethane;4-ethyl-3,4-dihydro-2H-chromene
CID 169111717
1-(3,4-dihydro-2H-chromen-4-yl)-3-piperidin-4-ylpropan-2-one
CID 116559906
2-(3,4-dihydro-2H-chromen-4-yl)ethanamine;hydrochloride
CID 175798234
2-(3,4-dihydro-2H-chromen-4-yl)-1-phenylethanone
CID 104769745
4-(3,4-dihydro-2H-chromen-4-ylmethoxy)benzoic acid
CID 104768077
4-[(4-fluorophenoxy)methyl]-3,4-dihydro-2H-chromene
CID 104771987
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-7H-purin-6-amine
CID 133293354

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dihydro-2H-chromen-4-ylmethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The IUPAC name of 4-(3,4-dihydro-2H-chromen-4-ylmethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine (CID 106781117) is 4-(3,4-dihydro-2H-chromen-4-ylmethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine.
What is the SMILES notation for 4-(3,4-dihydro-2H-chromen-4-ylmethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The canonical SMILES for 4-(3,4-dihydro-2H-chromen-4-ylmethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine is c1ccc2c(c1)OCCC2Cc1ncnc2c1CNCC2.
What is the InChIKey of 4-(3,4-dihydro-2H-chromen-4-ylmethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The InChIKey is GGWHQFFSZRAGFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-2-4-17-13(3-1)12(6-8-21-17)9-16-14-10-18-7-5-15(14)19-11-20-16/h1-4,11-12,18H,5-10H2.
What are the key properties of 4-(3,4-dihydro-2H-chromen-4-ylmethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
4-(3,4-dihydro-2H-chromen-4-ylmethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine has a molecular weight of 281.36 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dihydro-2H-chromen-4-ylmethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine is sourced from PubChem (CID 106781117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).