2-methyl-N-propyl-6-thiomorpholin-4-ylpyrimidin-4-amine

C12H20N4S — CID 80765301

IUPAC2-methyl-N-propyl-6-thiomorpholin-4-ylpyrimidin-4-amine
SMILESCCCNc1cc(N2CCSCC2)nc(C)n1
InChIInChI=1S/C12H20N4S/c1-3-4-13-11-9-12(15-10(2)14-11)16-5-7-17-8-6-16/h9H,3-8H2,1-2H3,(H,13,14,15)
InChIKeyKPUIFRICXCGZII-UHFFFAOYSA-N
MW252.39 g/mol
LogP2.16
Rot. Bonds4

About 2-methyl-N-propyl-6-thiomorpholin-4-ylpyrimidin-4-amine

2-methyl-N-propyl-6-thiomorpholin-4-ylpyrimidin-4-amine (PubChem CID 80765301) has the molecular formula C12H20N4S and a molecular weight of 252.39 g/mol. Its IUPAC name is 2-methyl-N-propyl-6-thiomorpholin-4-ylpyrimidin-4-amine.

Molecular Properties

Compound Name2-methyl-N-propyl-6-thiomorpholin-4-ylpyrimidin-4-amine
PubChem CID80765301
Molecular FormulaC12H20N4S
Molecular Weight252.39 g/mol
Exact Mass252.14
IUPAC Name2-methyl-N-propyl-6-thiomorpholin-4-ylpyrimidin-4-amine
SMILESCCCNc1cc(N2CCSCC2)nc(C)n1
InChIInChI=1S/C12H20N4S/c1-3-4-13-11-9-12(15-10(2)14-11)16-5-7-17-8-6-16/h9H,3-8H2,1-2H3,(H,13,14,15)
InChIKeyKPUIFRICXCGZII-UHFFFAOYSA-N
XLogP2.16
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.39
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-6-(4-methylpiperazin-1-yl)-N-propylpyrimidin-4-amine
CID 80766705
4-N-propyl-6-(1,4-thiazepan-4-yl)pyrimidine-2,4-diamine
CID 80796760
1-[4-[2-methyl-6-(propylamino)pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 80767201
2-methyl-6-[4-(2-methylpropyl)piperazin-1-yl]-N-propylpyrimidin-4-amine
CID 80803337
N-butyl-2-methyl-6-piperidin-1-ylpyrimidin-4-amine
CID 112867837
2-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]-N-propylpyrimidin-4-amine
CID 112867225
6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-methyl-N-propylpyrimidin-4-amine
CID 112867227
6-(3,4-dimethoxypyrrolidin-1-yl)-2-methyl-N-propylpyrimidin-4-amine
CID 103541915
6-piperidin-1-yl-2-N,4-N-dipropylpyrimidine-2,4-diamine
CID 70171641
6-(3-methoxypiperidin-1-yl)-2-methyl-N-propylpyrimidin-4-amine
CID 102971485
N-[2-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]propanamide
CID 121074644
6-methyl-N-propyl-2-(thiomorpholin-4-ylmethyl)pyrimidin-4-amine
CID 80657990

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-propyl-6-thiomorpholin-4-ylpyrimidin-4-amine?
The IUPAC name of 2-methyl-N-propyl-6-thiomorpholin-4-ylpyrimidin-4-amine (CID 80765301) is 2-methyl-N-propyl-6-thiomorpholin-4-ylpyrimidin-4-amine.
What is the SMILES notation for 2-methyl-N-propyl-6-thiomorpholin-4-ylpyrimidin-4-amine?
The canonical SMILES for 2-methyl-N-propyl-6-thiomorpholin-4-ylpyrimidin-4-amine is CCCNc1cc(N2CCSCC2)nc(C)n1.
What is the InChIKey of 2-methyl-N-propyl-6-thiomorpholin-4-ylpyrimidin-4-amine?
The InChIKey is KPUIFRICXCGZII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4S/c1-3-4-13-11-9-12(15-10(2)14-11)16-5-7-17-8-6-16/h9H,3-8H2,1-2H3,(H,13,14,15).
What are the key properties of 2-methyl-N-propyl-6-thiomorpholin-4-ylpyrimidin-4-amine?
2-methyl-N-propyl-6-thiomorpholin-4-ylpyrimidin-4-amine has a molecular weight of 252.39 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-propyl-6-thiomorpholin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 80765301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).