2-N-methyl-4-N-(2-thiomorpholin-4-ylethyl)pyrimidine-2,4-diamine

C11H19N5S — CID 114174041

IUPAC2-N-methyl-4-N-(2-thiomorpholin-4-ylethyl)pyrimidine-2,4-diamine
SMILESCNc1nccc(NCCN2CCSCC2)n1
InChIInChI=1S/C11H19N5S/c1-12-11-14-3-2-10(15-11)13-4-5-16-6-8-17-9-7-16/h2-3H,4-9H2,1H3,(H2,12,13,14,15)
InChIKeyFDRMEMJIAIXESV-UHFFFAOYSA-N
MW253.37 g/mol
LogP0.98
Rot. Bonds5

About 2-N-methyl-4-N-(2-thiomorpholin-4-ylethyl)pyrimidine-2,4-diamine

2-N-methyl-4-N-(2-thiomorpholin-4-ylethyl)pyrimidine-2,4-diamine (PubChem CID 114174041) has the molecular formula C11H19N5S and a molecular weight of 253.37 g/mol. Its IUPAC name is 2-N-methyl-4-N-(2-thiomorpholin-4-ylethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-methyl-4-N-(2-thiomorpholin-4-ylethyl)pyrimidine-2,4-diamine
PubChem CID114174041
Molecular FormulaC11H19N5S
Molecular Weight253.37 g/mol
Exact Mass253.14
IUPAC Name2-N-methyl-4-N-(2-thiomorpholin-4-ylethyl)pyrimidine-2,4-diamine
SMILESCNc1nccc(NCCN2CCSCC2)n1
InChIInChI=1S/C11H19N5S/c1-12-11-14-3-2-10(15-11)13-4-5-16-6-8-17-9-7-16/h2-3H,4-9H2,1H3,(H2,12,13,14,15)
InChIKeyFDRMEMJIAIXESV-UHFFFAOYSA-N
XLogP0.98
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-Pyrimidinyl)piperazine
CID 88747
1-(2-Pyrimidyl)piperazine hydrochloride
CID 2818457
4-(Pyrimidin-2-yl)thiomorpholine
CID 868189
4-(Piperazin-1-yl)pyrimidin-2-amine
CID 19969682
4-(4-Methylpiperazin-1-YL)pyrimidin-2-amine
CID 25128833
6-(4-Methylpiperazin-1-yl)-N-neopentylpyrimidin-4-amine
CID 57403350
N-cyclopentyl-4-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 58227127
N-butyl-4-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 58227143
4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-N-propan-2-ylpyrimidin-2-amine
CID 58227157
4-(4-methylpiperazin-1-yl)-N-propan-2-ylpyrimidin-2-amine
CID 58227165
N-butyl-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine
CID 58227326
4-(4-methylpiperazin-1-yl)-N-(2-methylpropyl)pyrimidin-2-amine
CID 58227388

Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-4-N-(2-thiomorpholin-4-ylethyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-methyl-4-N-(2-thiomorpholin-4-ylethyl)pyrimidine-2,4-diamine (CID 114174041) is 2-N-methyl-4-N-(2-thiomorpholin-4-ylethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-methyl-4-N-(2-thiomorpholin-4-ylethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-methyl-4-N-(2-thiomorpholin-4-ylethyl)pyrimidine-2,4-diamine is CNc1nccc(NCCN2CCSCC2)n1.
What is the InChIKey of 2-N-methyl-4-N-(2-thiomorpholin-4-ylethyl)pyrimidine-2,4-diamine?
The InChIKey is FDRMEMJIAIXESV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5S/c1-12-11-14-3-2-10(15-11)13-4-5-16-6-8-17-9-7-16/h2-3H,4-9H2,1H3,(H2,12,13,14,15).
What are the key properties of 2-N-methyl-4-N-(2-thiomorpholin-4-ylethyl)pyrimidine-2,4-diamine?
2-N-methyl-4-N-(2-thiomorpholin-4-ylethyl)pyrimidine-2,4-diamine has a molecular weight of 253.37 g/mol, XLogP of 0.98, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-4-N-(2-thiomorpholin-4-ylethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 114174041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).