2-N,2-N-dimethyl-4-N-(thian-2-ylmethyl)pyrimidine-2,4-diamine

C12H20N4S — CID 80612818

IUPAC2-N,2-N-dimethyl-4-N-(thian-2-ylmethyl)pyrimidine-2,4-diamine
SMILESCN(C)c1nccc(NCC2CCCCS2)n1
InChIInChI=1S/C12H20N4S/c1-16(2)12-13-7-6-11(15-12)14-9-10-5-3-4-8-17-10/h6-7,10H,3-5,8-9H2,1-2H3,(H,13,14,15)
InChIKeyCHLAJKJSKOBYPI-UHFFFAOYSA-N
MW252.39 g/mol
LogP2.24
Rot. Bonds4

About 2-N,2-N-dimethyl-4-N-(thian-2-ylmethyl)pyrimidine-2,4-diamine

2-N,2-N-dimethyl-4-N-(thian-2-ylmethyl)pyrimidine-2,4-diamine (PubChem CID 80612818) has the molecular formula C12H20N4S and a molecular weight of 252.39 g/mol. Its IUPAC name is 2-N,2-N-dimethyl-4-N-(thian-2-ylmethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N,2-N-dimethyl-4-N-(thian-2-ylmethyl)pyrimidine-2,4-diamine
PubChem CID80612818
Molecular FormulaC12H20N4S
Molecular Weight252.39 g/mol
Exact Mass252.14
IUPAC Name2-N,2-N-dimethyl-4-N-(thian-2-ylmethyl)pyrimidine-2,4-diamine
SMILESCN(C)c1nccc(NCC2CCCCS2)n1
InChIInChI=1S/C12H20N4S/c1-16(2)12-13-7-6-11(15-12)14-9-10-5-3-4-8-17-10/h6-7,10H,3-5,8-9H2,1-2H3,(H,13,14,15)
InChIKeyCHLAJKJSKOBYPI-UHFFFAOYSA-N
XLogP2.24
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 ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-N-(thian-2-ylmethyl)pyridine-2,6-diamine
CID 80646834
2-N,2-N-dimethyl-4-N-[(1-methylpiperidin-4-yl)methyl]pyrimidine-2,4-diamine
CID 64829485
4-N-(2-cyclobutylethyl)-2-N,2-N-dimethylpyrimidine-2,4-diamine
CID 115689924
2-N-ethyl-6-N-(thiolan-2-ylmethyl)pyridine-2,6-diamine
CID 80852493
6-methyl-N-(thian-2-ylmethyl)pyrimidin-4-amine
CID 80612498
2-N-(thian-2-ylmethyl)pyridine-2,5-diamine
CID 80595595
2-(thian-2-ylmethylamino)pyridine-4-carbothioamide
CID 80599805
4-propoxy-N-(thian-2-ylmethyl)pyrimidin-2-amine
CID 112638269
6-bromo-N-(thiolan-2-ylmethyl)pyridin-2-amine
CID 80585811
4-N-(thian-2-ylmethyl)pyrimidine-4,6-diamine
CID 80852498
4-methoxy-N-(thiolan-2-ylmethyl)pyrimidin-2-amine
CID 112698618
2-N,2-N-dimethyl-4-N-propan-2-ylpyrimidine-2,4-diamine
CID 64829275

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-dimethyl-4-N-(thian-2-ylmethyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N,2-N-dimethyl-4-N-(thian-2-ylmethyl)pyrimidine-2,4-diamine (CID 80612818) is 2-N,2-N-dimethyl-4-N-(thian-2-ylmethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N,2-N-dimethyl-4-N-(thian-2-ylmethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N,2-N-dimethyl-4-N-(thian-2-ylmethyl)pyrimidine-2,4-diamine is CN(C)c1nccc(NCC2CCCCS2)n1.
What is the InChIKey of 2-N,2-N-dimethyl-4-N-(thian-2-ylmethyl)pyrimidine-2,4-diamine?
The InChIKey is CHLAJKJSKOBYPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4S/c1-16(2)12-13-7-6-11(15-12)14-9-10-5-3-4-8-17-10/h6-7,10H,3-5,8-9H2,1-2H3,(H,13,14,15).
What are the key properties of 2-N,2-N-dimethyl-4-N-(thian-2-ylmethyl)pyrimidine-2,4-diamine?
2-N,2-N-dimethyl-4-N-(thian-2-ylmethyl)pyrimidine-2,4-diamine has a molecular weight of 252.39 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-dimethyl-4-N-(thian-2-ylmethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 80612818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).