2,5-dimethyl-6-N-propyl-4-N-(thiolan-3-ylmethyl)pyrimidine-4,6-diamine

C14H24N4S — CID 107298770

IUPAC2,5-dimethyl-6-N-propyl-4-N-(thiolan-3-ylmethyl)pyrimidine-4,6-diamine
SMILESCCCNc1nc(C)nc(NCC2CCSC2)c1C
InChIInChI=1S/C14H24N4S/c1-4-6-15-13-10(2)14(18-11(3)17-13)16-8-12-5-7-19-9-12/h12H,4-9H2,1-3H3,(H2,15,16,17,18)
InChIKeyKZIWBEOKMINIHB-UHFFFAOYSA-N
MW280.44 g/mol
LogP3.08
Rot. Bonds6

About 2,5-dimethyl-6-N-propyl-4-N-(thiolan-3-ylmethyl)pyrimidine-4,6-diamine

2,5-dimethyl-6-N-propyl-4-N-(thiolan-3-ylmethyl)pyrimidine-4,6-diamine (PubChem CID 107298770) has the molecular formula C14H24N4S and a molecular weight of 280.44 g/mol. Its IUPAC name is 2,5-dimethyl-6-N-propyl-4-N-(thiolan-3-ylmethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2,5-dimethyl-6-N-propyl-4-N-(thiolan-3-ylmethyl)pyrimidine-4,6-diamine
PubChem CID107298770
Molecular FormulaC14H24N4S
Molecular Weight280.44 g/mol
Exact Mass280.17
IUPAC Name2,5-dimethyl-6-N-propyl-4-N-(thiolan-3-ylmethyl)pyrimidine-4,6-diamine
SMILESCCCNc1nc(C)nc(NCC2CCSC2)c1C
InChIInChI=1S/C14H24N4S/c1-4-6-15-13-10(2)14(18-11(3)17-13)16-8-12-5-7-19-9-12/h12H,4-9H2,1-3H3,(H2,15,16,17,18)
InChIKeyKZIWBEOKMINIHB-UHFFFAOYSA-N
XLogP3.08
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(2-cyclopentylethyl)-2,5-dimethyl-6-N-propylpyrimidine-4,6-diamine
CID 80790570
4-N-(2-bicyclo[2.2.1]heptanylmethyl)-2,5-dimethyl-6-N-propylpyrimidine-4,6-diamine
CID 80817925
4-N-(cyclopentylmethyl)-2-ethyl-5-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80994212
6-propoxy-4-N-propyl-2-N-(thiolan-3-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 107298768
2,5-dimethyl-6-N-propyl-4-N-(2-thiomorpholin-4-ylethyl)pyrimidine-4,6-diamine
CID 106327505
2,5-dimethyl-6-(3-methylthiomorpholin-4-yl)-N-propylpyrimidin-4-amine
CID 80836387
6-(2,2-dimethylhydrazinyl)-2,5-dimethyl-N-propylpyrimidin-4-amine
CID 83025046
4-N-(cyclohexylmethyl)-6-N-ethyl-2,5-dimethylpyrimidine-4,6-diamine
CID 80783839
2,5-dimethyl-6-N-propyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine
CID 80828474
2-N-propyl-4-N-(thiolan-3-ylmethyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 107298718
5,6-dimethyl-N-(thiolan-3-ylmethyl)-1,2,4-triazin-3-amine
CID 107296743
6-cyclopentylsulfanyl-2,5-dimethyl-N-propylpyrimidin-4-amine
CID 80889840

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-6-N-propyl-4-N-(thiolan-3-ylmethyl)pyrimidine-4,6-diamine?
The IUPAC name of 2,5-dimethyl-6-N-propyl-4-N-(thiolan-3-ylmethyl)pyrimidine-4,6-diamine (CID 107298770) is 2,5-dimethyl-6-N-propyl-4-N-(thiolan-3-ylmethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 2,5-dimethyl-6-N-propyl-4-N-(thiolan-3-ylmethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 2,5-dimethyl-6-N-propyl-4-N-(thiolan-3-ylmethyl)pyrimidine-4,6-diamine is CCCNc1nc(C)nc(NCC2CCSC2)c1C.
What is the InChIKey of 2,5-dimethyl-6-N-propyl-4-N-(thiolan-3-ylmethyl)pyrimidine-4,6-diamine?
The InChIKey is KZIWBEOKMINIHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4S/c1-4-6-15-13-10(2)14(18-11(3)17-13)16-8-12-5-7-19-9-12/h12H,4-9H2,1-3H3,(H2,15,16,17,18).
What are the key properties of 2,5-dimethyl-6-N-propyl-4-N-(thiolan-3-ylmethyl)pyrimidine-4,6-diamine?
2,5-dimethyl-6-N-propyl-4-N-(thiolan-3-ylmethyl)pyrimidine-4,6-diamine has a molecular weight of 280.44 g/mol, XLogP of 3.08, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-6-N-propyl-4-N-(thiolan-3-ylmethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 107298770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).