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

C11H18N4S — CID 80852345

IUPAC2-N,5-dimethyl-4-N-(thiolan-2-ylmethyl)pyrimidine-2,4-diamine
SMILESCNc1ncc(C)c(NCC2CCCS2)n1
InChIInChI=1S/C11H18N4S/c1-8-6-14-11(12-2)15-10(8)13-7-9-4-3-5-16-9/h6,9H,3-5,7H2,1-2H3,(H2,12,13,14,15)
InChIKeyFJRWJGFVEMBYNW-UHFFFAOYSA-N
MW238.36 g/mol
LogP2.13
Rot. Bonds4

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

2-N,5-dimethyl-4-N-(thiolan-2-ylmethyl)pyrimidine-2,4-diamine (PubChem CID 80852345) has the molecular formula C11H18N4S and a molecular weight of 238.36 g/mol. Its IUPAC name is 2-N,5-dimethyl-4-N-(thiolan-2-ylmethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N,5-dimethyl-4-N-(thiolan-2-ylmethyl)pyrimidine-2,4-diamine
PubChem CID80852345
Molecular FormulaC11H18N4S
Molecular Weight238.36 g/mol
Exact Mass238.13
IUPAC Name2-N,5-dimethyl-4-N-(thiolan-2-ylmethyl)pyrimidine-2,4-diamine
SMILESCNc1ncc(C)c(NCC2CCCS2)n1
InChIInChI=1S/C11H18N4S/c1-8-6-14-11(12-2)15-10(8)13-7-9-4-3-5-16-9/h6,9H,3-5,7H2,1-2H3,(H2,12,13,14,15)
InChIKeyFJRWJGFVEMBYNW-UHFFFAOYSA-N
XLogP2.13
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-methyl-4-N-(thiolan-2-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103329130
4-N-[(4-ethylcyclohexyl)methyl]-2-N,5-dimethylpyrimidine-2,4-diamine
CID 80818986
2-N,5-dimethyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]pyrimidine-2,4-diamine
CID 80790393
2-N,5-dimethyl-4-N-(oxan-3-ylmethyl)pyrimidine-2,4-diamine
CID 80813128
2-N-methyl-6-N-(thian-2-ylmethyl)-7H-purine-2,6-diamine
CID 114785710
2-N,5-dimethyl-4-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrimidine-2,4-diamine
CID 80816729
2,2-dimethyl-3-[[5-methyl-2-(methylamino)pyrimidin-4-yl]amino]propan-1-ol
CID 115366501
2-N-(thian-2-ylmethyl)pyrimidine-2,5-diamine
CID 80595463
6-chloro-4-N-methyl-2-N-(thian-2-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80852504
4,6-dimethyl-2-(thiolan-2-ylmethylamino)pyridine-3-carboxylic acid
CID 80585482
5-methyl-2-N-(thian-2-ylmethyl)pyridine-2,3-diamine
CID 80596479
4-methyl-1-[[[5-methyl-2-(methylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol
CID 80842820

Frequently Asked Questions

What is the IUPAC name of 2-N,5-dimethyl-4-N-(thiolan-2-ylmethyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N,5-dimethyl-4-N-(thiolan-2-ylmethyl)pyrimidine-2,4-diamine (CID 80852345) is 2-N,5-dimethyl-4-N-(thiolan-2-ylmethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N,5-dimethyl-4-N-(thiolan-2-ylmethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N,5-dimethyl-4-N-(thiolan-2-ylmethyl)pyrimidine-2,4-diamine is CNc1ncc(C)c(NCC2CCCS2)n1.
What is the InChIKey of 2-N,5-dimethyl-4-N-(thiolan-2-ylmethyl)pyrimidine-2,4-diamine?
The InChIKey is FJRWJGFVEMBYNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4S/c1-8-6-14-11(12-2)15-10(8)13-7-9-4-3-5-16-9/h6,9H,3-5,7H2,1-2H3,(H2,12,13,14,15).
What are the key properties of 2-N,5-dimethyl-4-N-(thiolan-2-ylmethyl)pyrimidine-2,4-diamine?
2-N,5-dimethyl-4-N-(thiolan-2-ylmethyl)pyrimidine-2,4-diamine has a molecular weight of 238.36 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,5-dimethyl-4-N-(thiolan-2-ylmethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 80852345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).