6-methyl-N-propyl-2-(thiomorpholin-4-ylmethyl)pyrimidin-4-amine

C13H22N4S — CID 80657990

IUPAC6-methyl-N-propyl-2-(thiomorpholin-4-ylmethyl)pyrimidin-4-amine
SMILESCCCNc1cc(C)nc(CN2CCSCC2)n1
InChIInChI=1S/C13H22N4S/c1-3-4-14-12-9-11(2)15-13(16-12)10-17-5-7-18-8-6-17/h9H,3-8,10H2,1-2H3,(H,14,15,16)
InChIKeyJTOYUFJCGHWCKP-UHFFFAOYSA-N
MW266.41 g/mol
LogP2.16
Rot. Bonds5

About 6-methyl-N-propyl-2-(thiomorpholin-4-ylmethyl)pyrimidin-4-amine

6-methyl-N-propyl-2-(thiomorpholin-4-ylmethyl)pyrimidin-4-amine (PubChem CID 80657990) has the molecular formula C13H22N4S and a molecular weight of 266.41 g/mol. Its IUPAC name is 6-methyl-N-propyl-2-(thiomorpholin-4-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-methyl-N-propyl-2-(thiomorpholin-4-ylmethyl)pyrimidin-4-amine
PubChem CID80657990
Molecular FormulaC13H22N4S
Molecular Weight266.41 g/mol
Exact Mass266.16
IUPAC Name6-methyl-N-propyl-2-(thiomorpholin-4-ylmethyl)pyrimidin-4-amine
SMILESCCCNc1cc(C)nc(CN2CCSCC2)n1
InChIInChI=1S/C13H22N4S/c1-3-4-14-12-9-11(2)15-13(16-12)10-17-5-7-18-8-6-17/h9H,3-8,10H2,1-2H3,(H,14,15,16)
InChIKeyJTOYUFJCGHWCKP-UHFFFAOYSA-N
XLogP2.16
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 ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(azocan-1-ylmethyl)-6-methyl-N-propylpyrimidin-4-amine
CID 80657624
2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-6-methyl-N-propylpyrimidin-4-amine
CID 80657242
2,6-dimethyl-N-(2-thiomorpholin-4-ylethyl)pyrimidin-4-amine
CID 113234720
2-[[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methyl]-6-methyl-N-propylpyrimidin-4-amine
CID 81464110
2-[(3-methoxypiperidin-1-yl)methyl]-6-methyl-N-propylpyrimidin-4-amine
CID 102966751
6-methyl-N,2-dipropylpyrimidin-4-amine
CID 6460821
6-methyl-N-propyl-2-(1,2,4-triazol-1-ylmethyl)pyrimidin-4-amine
CID 80654333
1-[[4-methyl-6-(propylamino)pyrimidin-2-yl]methyl]azocan-2-one
CID 80663824
2-N-propyl-6-N-(2-thiomorpholin-4-ylethyl)pyridine-2,6-diamine
CID 106327485
2-methyl-N-propyl-6-thiomorpholin-4-ylpyrimidin-4-amine
CID 80765301
2-[(4,5-dimethylimidazol-1-yl)methyl]-6-methyl-N-propylpyrimidin-4-amine
CID 80654507
N-ethyl-6-methyl-2-[(4-propan-2-ylpiperidin-1-yl)methyl]pyrimidin-4-amine
CID 103502321

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-propyl-2-(thiomorpholin-4-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 6-methyl-N-propyl-2-(thiomorpholin-4-ylmethyl)pyrimidin-4-amine (CID 80657990) is 6-methyl-N-propyl-2-(thiomorpholin-4-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-methyl-N-propyl-2-(thiomorpholin-4-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 6-methyl-N-propyl-2-(thiomorpholin-4-ylmethyl)pyrimidin-4-amine is CCCNc1cc(C)nc(CN2CCSCC2)n1.
What is the InChIKey of 6-methyl-N-propyl-2-(thiomorpholin-4-ylmethyl)pyrimidin-4-amine?
The InChIKey is JTOYUFJCGHWCKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4S/c1-3-4-14-12-9-11(2)15-13(16-12)10-17-5-7-18-8-6-17/h9H,3-8,10H2,1-2H3,(H,14,15,16).
What are the key properties of 6-methyl-N-propyl-2-(thiomorpholin-4-ylmethyl)pyrimidin-4-amine?
6-methyl-N-propyl-2-(thiomorpholin-4-ylmethyl)pyrimidin-4-amine has a molecular weight of 266.41 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-propyl-2-(thiomorpholin-4-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 80657990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).