2-methyl-N-[[4-methyl-2-(thiolan-2-yl)pyrimidin-5-yl]methyl]propan-2-amine

C14H23N3S — CID 114206526

IUPAC2-methyl-N-[[4-methyl-2-(thiolan-2-yl)pyrimidin-5-yl]methyl]propan-2-amine
SMILESCc1nc(C2CCCS2)ncc1CNC(C)(C)C
InChIInChI=1S/C14H23N3S/c1-10-11(9-16-14(2,3)4)8-15-13(17-10)12-6-5-7-18-12/h8,12,16H,5-7,9H2,1-4H3
InChIKeyCLPIYMFYRMPGEU-UHFFFAOYSA-N
MW265.43 g/mol
LogP3.24
Rot. Bonds3

About 2-methyl-N-[[4-methyl-2-(thiolan-2-yl)pyrimidin-5-yl]methyl]propan-2-amine

2-methyl-N-[[4-methyl-2-(thiolan-2-yl)pyrimidin-5-yl]methyl]propan-2-amine (PubChem CID 114206526) has the molecular formula C14H23N3S and a molecular weight of 265.43 g/mol. Its IUPAC name is 2-methyl-N-[[4-methyl-2-(thiolan-2-yl)pyrimidin-5-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[4-methyl-2-(thiolan-2-yl)pyrimidin-5-yl]methyl]propan-2-amine
PubChem CID114206526
Molecular FormulaC14H23N3S
Molecular Weight265.43 g/mol
Exact Mass265.16
IUPAC Name2-methyl-N-[[4-methyl-2-(thiolan-2-yl)pyrimidin-5-yl]methyl]propan-2-amine
SMILESCc1nc(C2CCCS2)ncc1CNC(C)(C)C
InChIInChI=1S/C14H23N3S/c1-10-11(9-16-14(2,3)4)8-15-13(17-10)12-6-5-7-18-12/h8,12,16H,5-7,9H2,1-4H3
InChIKeyCLPIYMFYRMPGEU-UHFFFAOYSA-N
XLogP3.24
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.43
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[4-methyl-2-(thiolan-2-yl)pyrimidin-5-yl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[4-methyl-2-(thiolan-2-yl)pyrimidin-5-yl]methyl]propan-2-amine (CID 114206526) is 2-methyl-N-[[4-methyl-2-(thiolan-2-yl)pyrimidin-5-yl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[4-methyl-2-(thiolan-2-yl)pyrimidin-5-yl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[4-methyl-2-(thiolan-2-yl)pyrimidin-5-yl]methyl]propan-2-amine is Cc1nc(C2CCCS2)ncc1CNC(C)(C)C.
What is the InChIKey of 2-methyl-N-[[4-methyl-2-(thiolan-2-yl)pyrimidin-5-yl]methyl]propan-2-amine?
The InChIKey is CLPIYMFYRMPGEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3S/c1-10-11(9-16-14(2,3)4)8-15-13(17-10)12-6-5-7-18-12/h8,12,16H,5-7,9H2,1-4H3.
What are the key properties of 2-methyl-N-[[4-methyl-2-(thiolan-2-yl)pyrimidin-5-yl]methyl]propan-2-amine?
2-methyl-N-[[4-methyl-2-(thiolan-2-yl)pyrimidin-5-yl]methyl]propan-2-amine has a molecular weight of 265.43 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[4-methyl-2-(thiolan-2-yl)pyrimidin-5-yl]methyl]propan-2-amine is sourced from PubChem (CID 114206526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).