2-(piperidin-4-ylmethyl)-6,8-dihydro-5H-pyrano[3,4-d]pyrimidine

C13H19N3O — CID 105493340

IUPAC2-(piperidin-4-ylmethyl)-6,8-dihydro-5H-pyrano[3,4-d]pyrimidine
SMILESc1nc(CC2CCNCC2)nc2c1CCOC2
InChIInChI=1S/C13H19N3O/c1-4-14-5-2-10(1)7-13-15-8-11-3-6-17-9-12(11)16-13/h8,10,14H,1-7,9H2
InChIKeyQPFYTTIARHGDHQ-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.09
Rot. Bonds2

About 2-(piperidin-4-ylmethyl)-6,8-dihydro-5H-pyrano[3,4-d]pyrimidine

2-(piperidin-4-ylmethyl)-6,8-dihydro-5H-pyrano[3,4-d]pyrimidine (PubChem CID 105493340) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-(piperidin-4-ylmethyl)-6,8-dihydro-5H-pyrano[3,4-d]pyrimidine.

Molecular Properties

Compound Name2-(piperidin-4-ylmethyl)-6,8-dihydro-5H-pyrano[3,4-d]pyrimidine
PubChem CID105493340
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name2-(piperidin-4-ylmethyl)-6,8-dihydro-5H-pyrano[3,4-d]pyrimidine
SMILESc1nc(CC2CCNCC2)nc2c1CCOC2
InChIInChI=1S/C13H19N3O/c1-4-14-5-2-10(1)7-13-15-8-11-3-6-17-9-12(11)16-13/h8,10,14H,1-7,9H2
InChIKeyQPFYTTIARHGDHQ-UHFFFAOYSA-N
XLogP1.09
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(piperidin-4-ylmethyl)-6,8-dihydro-5H-pyrano[3,4-d]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(piperidin-2-ylmethyl)-6,8-dihydro-5H-pyrano[3,4-d]pyrimidine
CID 105493342
2-(pyrrolidin-3-ylmethyl)-6,8-dihydro-5H-pyrano[3,4-d]pyrimidin-4-amine
CID 105494773
3-(3,4-dihydro-1H-isochromen-8-ylmethyl)pyrrolidine
CID 84785514
[2-(oxolan-3-ylmethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine
CID 113362286
2-(piperidin-4-ylmethyl)thieno[3,2-d]pyrimidine
CID 141198481
4-(pyrrolidin-3-ylmethyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
CID 83849391
2-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)ethanamine
CID 83914930
7-(cyclopentylmethyl)-2-(cyclopropylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 24930470
5-chloro-4-cyclopropyloxy-2-[[(3S)-pyrrolidin-3-yl]methyl]pyrimidine
CID 160653730
N-[[2-(cyclopropylmethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]ethanamine
CID 81425282
2-(piperidin-2-ylmethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 84735082
5-ethyl-3-(piperidin-4-ylmethyl)-1,2,4-triazine
CID 105459668

Frequently Asked Questions

What is the IUPAC name of 2-(piperidin-4-ylmethyl)-6,8-dihydro-5H-pyrano[3,4-d]pyrimidine?
The IUPAC name of 2-(piperidin-4-ylmethyl)-6,8-dihydro-5H-pyrano[3,4-d]pyrimidine (CID 105493340) is 2-(piperidin-4-ylmethyl)-6,8-dihydro-5H-pyrano[3,4-d]pyrimidine.
What is the SMILES notation for 2-(piperidin-4-ylmethyl)-6,8-dihydro-5H-pyrano[3,4-d]pyrimidine?
The canonical SMILES for 2-(piperidin-4-ylmethyl)-6,8-dihydro-5H-pyrano[3,4-d]pyrimidine is c1nc(CC2CCNCC2)nc2c1CCOC2.
What is the InChIKey of 2-(piperidin-4-ylmethyl)-6,8-dihydro-5H-pyrano[3,4-d]pyrimidine?
The InChIKey is QPFYTTIARHGDHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-4-14-5-2-10(1)7-13-15-8-11-3-6-17-9-12(11)16-13/h8,10,14H,1-7,9H2.
What are the key properties of 2-(piperidin-4-ylmethyl)-6,8-dihydro-5H-pyrano[3,4-d]pyrimidine?
2-(piperidin-4-ylmethyl)-6,8-dihydro-5H-pyrano[3,4-d]pyrimidine has a molecular weight of 233.31 g/mol, XLogP of 1.09, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(piperidin-4-ylmethyl)-6,8-dihydro-5H-pyrano[3,4-d]pyrimidine is sourced from PubChem (CID 105493340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).