2-(4-methylthiomorpholin-3-yl)-N-propyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine

C15H24N4OS — CID 106472557

IUPAC2-(4-methylthiomorpholin-3-yl)-N-propyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
SMILESCCCNc1nc(C2CSCCN2C)nc2c1COCC2
InChIInChI=1S/C15H24N4OS/c1-3-5-16-14-11-9-20-7-4-12(11)17-15(18-14)13-10-21-8-6-19(13)2/h13H,3-10H2,1-2H3,(H,16,17,18)
InChIKeyDOZBZYZHMYDIAL-UHFFFAOYSA-N
MW308.45 g/mol
LogP2.09
Rot. Bonds4

About 2-(4-methylthiomorpholin-3-yl)-N-propyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine

2-(4-methylthiomorpholin-3-yl)-N-propyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine (PubChem CID 106472557) has the molecular formula C15H24N4OS and a molecular weight of 308.45 g/mol. Its IUPAC name is 2-(4-methylthiomorpholin-3-yl)-N-propyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(4-methylthiomorpholin-3-yl)-N-propyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
PubChem CID106472557
Molecular FormulaC15H24N4OS
Molecular Weight308.45 g/mol
Exact Mass308.17
IUPAC Name2-(4-methylthiomorpholin-3-yl)-N-propyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
SMILESCCCNc1nc(C2CSCCN2C)nc2c1COCC2
InChIInChI=1S/C15H24N4OS/c1-3-5-16-14-11-9-20-7-4-12(11)17-15(18-14)13-10-21-8-6-19(13)2/h13H,3-10H2,1-2H3,(H,16,17,18)
InChIKeyDOZBZYZHMYDIAL-UHFFFAOYSA-N
XLogP2.09
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(4-methylthiomorpholin-3-yl)-N-propyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine with MolForge

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Related Compounds

2-(4-methylpiperazin-1-yl)-N-propyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472509
2-(oxolan-2-yl)-N-propyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472619
2-(3-methylcyclopentyl)-N-propyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472620
3-(4-methylthiomorpholin-3-yl)-N-propyl-1,2,4-thiadiazol-5-amine
CID 106446176
2-N,2-N-diethyl-4-N-propyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine-2,4-diamine
CID 106472565
2-[4,6-diethyl-2-(4-methylthiomorpholin-3-yl)pyrimidin-5-yl]-N-methylethanamine
CID 106445977
2-(ethoxymethyl)-N-propyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472621
3-(4-chloro-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-yl)-4-methylthiomorpholine
CID 103595121
2-(1,5-dimethylpyrazol-4-yl)-N-propyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472668
2-(4,5-dibromothiophen-2-yl)-N-propyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472651
2-(1-methylsulfonylethyl)-N-propyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472555
N-propyl-2-(propylsulfanylmethyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472513

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylthiomorpholin-3-yl)-N-propyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine?
The IUPAC name of 2-(4-methylthiomorpholin-3-yl)-N-propyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine (CID 106472557) is 2-(4-methylthiomorpholin-3-yl)-N-propyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-(4-methylthiomorpholin-3-yl)-N-propyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-(4-methylthiomorpholin-3-yl)-N-propyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine is CCCNc1nc(C2CSCCN2C)nc2c1COCC2.
What is the InChIKey of 2-(4-methylthiomorpholin-3-yl)-N-propyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine?
The InChIKey is DOZBZYZHMYDIAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4OS/c1-3-5-16-14-11-9-20-7-4-12(11)17-15(18-14)13-10-21-8-6-19(13)2/h13H,3-10H2,1-2H3,(H,16,17,18).
What are the key properties of 2-(4-methylthiomorpholin-3-yl)-N-propyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine?
2-(4-methylthiomorpholin-3-yl)-N-propyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine has a molecular weight of 308.45 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylthiomorpholin-3-yl)-N-propyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine is sourced from PubChem (CID 106472557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).