N-[(4-methylthiomorpholin-3-yl)-pyrimidin-5-ylmethyl]propan-1-amine

C13H22N4S — CID 106445421

IUPACN-[(4-methylthiomorpholin-3-yl)-pyrimidin-5-ylmethyl]propan-1-amine
SMILESCCCNC(c1cncnc1)C1CSCCN1C
InChIInChI=1S/C13H22N4S/c1-3-4-16-13(11-7-14-10-15-8-11)12-9-18-6-5-17(12)2/h7-8,10,12-13,16H,3-6,9H2,1-2H3
InChIKeyQPIVJNQNZPICMI-UHFFFAOYSA-N
MW266.41 g/mol
LogP1.56
Rot. Bonds5

About N-[(4-methylthiomorpholin-3-yl)-pyrimidin-5-ylmethyl]propan-1-amine

N-[(4-methylthiomorpholin-3-yl)-pyrimidin-5-ylmethyl]propan-1-amine (PubChem CID 106445421) has the molecular formula C13H22N4S and a molecular weight of 266.41 g/mol. Its IUPAC name is N-[(4-methylthiomorpholin-3-yl)-pyrimidin-5-ylmethyl]propan-1-amine.

Molecular Properties

Compound NameN-[(4-methylthiomorpholin-3-yl)-pyrimidin-5-ylmethyl]propan-1-amine
PubChem CID106445421
Molecular FormulaC13H22N4S
Molecular Weight266.41 g/mol
Exact Mass266.16
IUPAC NameN-[(4-methylthiomorpholin-3-yl)-pyrimidin-5-ylmethyl]propan-1-amine
SMILESCCCNC(c1cncnc1)C1CSCCN1C
InChIInChI=1S/C13H22N4S/c1-3-4-16-13(11-7-14-10-15-8-11)12-9-18-6-5-17(12)2/h7-8,10,12-13,16H,3-6,9H2,1-2H3
InChIKeyQPIVJNQNZPICMI-UHFFFAOYSA-N
XLogP1.56
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-methylthiomorpholin-3-yl)-pyrazin-2-ylmethyl]propan-1-amine
CID 106445473
N-[(3-fluoro-5-methylphenyl)-(4-methylthiomorpholin-3-yl)methyl]propan-1-amine
CID 106445479
N-[(3-chloro-4-methylphenyl)-(4-methylthiomorpholin-3-yl)methyl]propan-1-amine
CID 107560838
N-[(4-methylthiomorpholin-3-yl)-(3-propyltriazol-4-yl)methyl]propan-1-amine
CID 106445341
N-[(4-methylthiomorpholin-3-yl)-(3-propylphenyl)methyl]propan-1-amine
CID 106445558
N-[(4-methylthiomorpholin-3-yl)-(1-propylimidazol-2-yl)methyl]propan-1-amine
CID 106445379
N-[1-(4-methylthiomorpholin-3-yl)-2-pyridin-4-ylethyl]propan-1-amine
CID 106445504
2,2-dimethyl-1-(4-methylthiomorpholin-3-yl)-N-propylpropan-1-amine
CID 106445433
N-[(2-fluoro-3-methoxyphenyl)-(4-methylthiomorpholin-3-yl)methyl]propan-1-amine
CID 106445454
[(5-methyl-3-pyridinyl)-(4-methylthiomorpholin-3-yl)methyl]hydrazine
CID 106446255
N-[(4-methylthiomorpholin-3-yl)-quinolin-3-ylmethyl]ethanamine
CID 106445061
N-[(3-fluoro-5-methylphenyl)-(4-methylthiomorpholin-3-yl)methyl]ethanamine
CID 106445193

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylthiomorpholin-3-yl)-pyrimidin-5-ylmethyl]propan-1-amine?
The IUPAC name of N-[(4-methylthiomorpholin-3-yl)-pyrimidin-5-ylmethyl]propan-1-amine (CID 106445421) is N-[(4-methylthiomorpholin-3-yl)-pyrimidin-5-ylmethyl]propan-1-amine.
What is the SMILES notation for N-[(4-methylthiomorpholin-3-yl)-pyrimidin-5-ylmethyl]propan-1-amine?
The canonical SMILES for N-[(4-methylthiomorpholin-3-yl)-pyrimidin-5-ylmethyl]propan-1-amine is CCCNC(c1cncnc1)C1CSCCN1C.
What is the InChIKey of N-[(4-methylthiomorpholin-3-yl)-pyrimidin-5-ylmethyl]propan-1-amine?
The InChIKey is QPIVJNQNZPICMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4S/c1-3-4-16-13(11-7-14-10-15-8-11)12-9-18-6-5-17(12)2/h7-8,10,12-13,16H,3-6,9H2,1-2H3.
What are the key properties of N-[(4-methylthiomorpholin-3-yl)-pyrimidin-5-ylmethyl]propan-1-amine?
N-[(4-methylthiomorpholin-3-yl)-pyrimidin-5-ylmethyl]propan-1-amine has a molecular weight of 266.41 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylthiomorpholin-3-yl)-pyrimidin-5-ylmethyl]propan-1-amine is sourced from PubChem (CID 106445421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).