N-[[4,6-dimethyl-2-(4-methylthiomorpholin-3-yl)pyrimidin-5-yl]methyl]-2-methylpropan-2-amine

C16H28N4S — CID 106445969

IUPACN-[[4,6-dimethyl-2-(4-methylthiomorpholin-3-yl)pyrimidin-5-yl]methyl]-2-methylpropan-2-amine
SMILESCc1nc(C2CSCCN2C)nc(C)c1CNC(C)(C)C
InChIInChI=1S/C16H28N4S/c1-11-13(9-17-16(3,4)5)12(2)19-15(18-11)14-10-21-8-7-20(14)6/h14,17H,7-10H2,1-6H3
InChIKeyURPDSISGQQFSIM-UHFFFAOYSA-N
MW308.50 g/mol
LogP2.70
Rot. Bonds3

About N-[[4,6-dimethyl-2-(4-methylthiomorpholin-3-yl)pyrimidin-5-yl]methyl]-2-methylpropan-2-amine

N-[[4,6-dimethyl-2-(4-methylthiomorpholin-3-yl)pyrimidin-5-yl]methyl]-2-methylpropan-2-amine (PubChem CID 106445969) has the molecular formula C16H28N4S and a molecular weight of 308.50 g/mol. Its IUPAC name is N-[[4,6-dimethyl-2-(4-methylthiomorpholin-3-yl)pyrimidin-5-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[4,6-dimethyl-2-(4-methylthiomorpholin-3-yl)pyrimidin-5-yl]methyl]-2-methylpropan-2-amine
PubChem CID106445969
Molecular FormulaC16H28N4S
Molecular Weight308.50 g/mol
Exact Mass308.20
IUPAC NameN-[[4,6-dimethyl-2-(4-methylthiomorpholin-3-yl)pyrimidin-5-yl]methyl]-2-methylpropan-2-amine
SMILESCc1nc(C2CSCCN2C)nc(C)c1CNC(C)(C)C
InChIInChI=1S/C16H28N4S/c1-11-13(9-17-16(3,4)5)12(2)19-15(18-11)14-10-21-8-7-20(14)6/h14,17H,7-10H2,1-6H3
InChIKeyURPDSISGQQFSIM-UHFFFAOYSA-N
XLogP2.70
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.50
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[4,6-dimethyl-2-(4-methylthiomorpholin-3-yl)pyrimidin-5-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[4,6-dimethyl-2-(4-methylthiomorpholin-3-yl)pyrimidin-5-yl]methyl]-2-methylpropan-2-amine (CID 106445969) is N-[[4,6-dimethyl-2-(4-methylthiomorpholin-3-yl)pyrimidin-5-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[4,6-dimethyl-2-(4-methylthiomorpholin-3-yl)pyrimidin-5-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[4,6-dimethyl-2-(4-methylthiomorpholin-3-yl)pyrimidin-5-yl]methyl]-2-methylpropan-2-amine is Cc1nc(C2CSCCN2C)nc(C)c1CNC(C)(C)C.
What is the InChIKey of N-[[4,6-dimethyl-2-(4-methylthiomorpholin-3-yl)pyrimidin-5-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is URPDSISGQQFSIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4S/c1-11-13(9-17-16(3,4)5)12(2)19-15(18-11)14-10-21-8-7-20(14)6/h14,17H,7-10H2,1-6H3.
What are the key properties of N-[[4,6-dimethyl-2-(4-methylthiomorpholin-3-yl)pyrimidin-5-yl]methyl]-2-methylpropan-2-amine?
N-[[4,6-dimethyl-2-(4-methylthiomorpholin-3-yl)pyrimidin-5-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 308.50 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4,6-dimethyl-2-(4-methylthiomorpholin-3-yl)pyrimidin-5-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 106445969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).