2,5-dimethyl-6-N-propyl-4-N-(2-thiomorpholin-4-ylethyl)pyrimidine-4,6-diamine

C15H27N5S — CID 106327505

IUPAC2,5-dimethyl-6-N-propyl-4-N-(2-thiomorpholin-4-ylethyl)pyrimidine-4,6-diamine
SMILESCCCNc1nc(C)nc(NCCN2CCSCC2)c1C
InChIInChI=1S/C15H27N5S/c1-4-5-16-14-12(2)15(19-13(3)18-14)17-6-7-20-8-10-21-11-9-20/h4-11H2,1-3H3,(H2,16,17,18,19)
InChIKeyBQOOCUFTLFENMG-UHFFFAOYSA-N
MW309.48 g/mol
LogP2.38
Rot. Bonds7

About 2,5-dimethyl-6-N-propyl-4-N-(2-thiomorpholin-4-ylethyl)pyrimidine-4,6-diamine

2,5-dimethyl-6-N-propyl-4-N-(2-thiomorpholin-4-ylethyl)pyrimidine-4,6-diamine (PubChem CID 106327505) has the molecular formula C15H27N5S and a molecular weight of 309.48 g/mol. Its IUPAC name is 2,5-dimethyl-6-N-propyl-4-N-(2-thiomorpholin-4-ylethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2,5-dimethyl-6-N-propyl-4-N-(2-thiomorpholin-4-ylethyl)pyrimidine-4,6-diamine
PubChem CID106327505
Molecular FormulaC15H27N5S
Molecular Weight309.48 g/mol
Exact Mass309.20
IUPAC Name2,5-dimethyl-6-N-propyl-4-N-(2-thiomorpholin-4-ylethyl)pyrimidine-4,6-diamine
SMILESCCCNc1nc(C)nc(NCCN2CCSCC2)c1C
InChIInChI=1S/C15H27N5S/c1-4-5-16-14-12(2)15(19-13(3)18-14)17-6-7-20-8-10-21-11-9-20/h4-11H2,1-3H3,(H2,16,17,18,19)
InChIKeyBQOOCUFTLFENMG-UHFFFAOYSA-N
XLogP2.38
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.48
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-ethyl-5-methyl-4-N-(2-thiomorpholin-4-ylethyl)pyrimidine-4,6-diamine
CID 106327553
6-N-ethyl-2,5-dimethyl-4-N-(2-morpholin-4-ylethyl)pyrimidine-4,6-diamine
CID 80778253
2-N-propyl-6-N-(2-thiomorpholin-4-ylethyl)pyridine-2,6-diamine
CID 106327485
2,6-dimethyl-N-(2-thiomorpholin-4-ylethyl)pyrimidin-4-amine
CID 113234720
2,5-dimethyl-4-N-(4-methylpiperazin-1-yl)-6-N-propylpyrimidine-4,6-diamine
CID 83027383
2,5-dimethyl-6-(3-methylthiomorpholin-4-yl)-N-propylpyrimidin-4-amine
CID 80836387
2-methyl-4-N-(2-thiomorpholin-4-ylethyl)pyrimidine-4,6-diamine
CID 114174035
6-ethoxy-2-methyl-N-(2-thiomorpholin-4-ylethyl)pyrimidin-4-amine
CID 106325943
2-N-ethyl-5-methyl-4-N-(2-thiomorpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 106327612
2,5-dimethyl-6-N-propyl-4-N-(thiolan-3-ylmethyl)pyrimidine-4,6-diamine
CID 107298770
4-N-butan-2-yl-2,5-dimethyl-6-N-propylpyrimidine-4,6-diamine
CID 80766465
3-bromo-4-methyl-2-N-(2-thiomorpholin-4-ylethyl)pyridine-2,5-diamine
CID 114173719

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-6-N-propyl-4-N-(2-thiomorpholin-4-ylethyl)pyrimidine-4,6-diamine?
The IUPAC name of 2,5-dimethyl-6-N-propyl-4-N-(2-thiomorpholin-4-ylethyl)pyrimidine-4,6-diamine (CID 106327505) is 2,5-dimethyl-6-N-propyl-4-N-(2-thiomorpholin-4-ylethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 2,5-dimethyl-6-N-propyl-4-N-(2-thiomorpholin-4-ylethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 2,5-dimethyl-6-N-propyl-4-N-(2-thiomorpholin-4-ylethyl)pyrimidine-4,6-diamine is CCCNc1nc(C)nc(NCCN2CCSCC2)c1C.
What is the InChIKey of 2,5-dimethyl-6-N-propyl-4-N-(2-thiomorpholin-4-ylethyl)pyrimidine-4,6-diamine?
The InChIKey is BQOOCUFTLFENMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5S/c1-4-5-16-14-12(2)15(19-13(3)18-14)17-6-7-20-8-10-21-11-9-20/h4-11H2,1-3H3,(H2,16,17,18,19).
What are the key properties of 2,5-dimethyl-6-N-propyl-4-N-(2-thiomorpholin-4-ylethyl)pyrimidine-4,6-diamine?
2,5-dimethyl-6-N-propyl-4-N-(2-thiomorpholin-4-ylethyl)pyrimidine-4,6-diamine has a molecular weight of 309.48 g/mol, XLogP of 2.38, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-6-N-propyl-4-N-(2-thiomorpholin-4-ylethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 106327505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).