N-[[4-(2-methylthiomorpholin-4-yl)pyrimidin-5-yl]methyl]cyclopropanamine

C13H20N4S — CID 114216558

IUPACN-[[4-(2-methylthiomorpholin-4-yl)pyrimidin-5-yl]methyl]cyclopropanamine
SMILESCC1CN(c2ncncc2CNC2CC2)CCS1
InChIInChI=1S/C13H20N4S/c1-10-8-17(4-5-18-10)13-11(6-14-9-16-13)7-15-12-2-3-12/h6,9-10,12,15H,2-5,7-8H2,1H3
InChIKeyNRDYUDWNGSTKEG-UHFFFAOYSA-N
MW264.40 g/mol
LogP1.67
Rot. Bonds4

About N-[[4-(2-methylthiomorpholin-4-yl)pyrimidin-5-yl]methyl]cyclopropanamine

N-[[4-(2-methylthiomorpholin-4-yl)pyrimidin-5-yl]methyl]cyclopropanamine (PubChem CID 114216558) has the molecular formula C13H20N4S and a molecular weight of 264.40 g/mol. Its IUPAC name is N-[[4-(2-methylthiomorpholin-4-yl)pyrimidin-5-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-(2-methylthiomorpholin-4-yl)pyrimidin-5-yl]methyl]cyclopropanamine
PubChem CID114216558
Molecular FormulaC13H20N4S
Molecular Weight264.40 g/mol
Exact Mass264.14
IUPAC NameN-[[4-(2-methylthiomorpholin-4-yl)pyrimidin-5-yl]methyl]cyclopropanamine
SMILESCC1CN(c2ncncc2CNC2CC2)CCS1
InChIInChI=1S/C13H20N4S/c1-10-8-17(4-5-18-10)13-11(6-14-9-16-13)7-15-12-2-3-12/h6,9-10,12,15H,2-5,7-8H2,1H3
InChIKeyNRDYUDWNGSTKEG-UHFFFAOYSA-N
XLogP1.67
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.40
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-methylthiomorpholin-4-yl)pyrimidin-5-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-(2-methylthiomorpholin-4-yl)pyrimidin-5-yl]methyl]cyclopropanamine (CID 114216558) is N-[[4-(2-methylthiomorpholin-4-yl)pyrimidin-5-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-(2-methylthiomorpholin-4-yl)pyrimidin-5-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-(2-methylthiomorpholin-4-yl)pyrimidin-5-yl]methyl]cyclopropanamine is CC1CN(c2ncncc2CNC2CC2)CCS1.
What is the InChIKey of N-[[4-(2-methylthiomorpholin-4-yl)pyrimidin-5-yl]methyl]cyclopropanamine?
The InChIKey is NRDYUDWNGSTKEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4S/c1-10-8-17(4-5-18-10)13-11(6-14-9-16-13)7-15-12-2-3-12/h6,9-10,12,15H,2-5,7-8H2,1H3.
What are the key properties of N-[[4-(2-methylthiomorpholin-4-yl)pyrimidin-5-yl]methyl]cyclopropanamine?
N-[[4-(2-methylthiomorpholin-4-yl)pyrimidin-5-yl]methyl]cyclopropanamine has a molecular weight of 264.40 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-methylthiomorpholin-4-yl)pyrimidin-5-yl]methyl]cyclopropanamine is sourced from PubChem (CID 114216558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).