2-N-(thiolan-3-ylmethyl)pyrimidine-2,5-diamine

C9H14N4S — CID 107294936

IUPAC2-N-(thiolan-3-ylmethyl)pyrimidine-2,5-diamine
SMILESNc1cnc(NCC2CCSC2)nc1
InChIInChI=1S/C9H14N4S/c10-8-4-12-9(13-5-8)11-3-7-1-2-14-6-7/h4-5,7H,1-3,6,10H2,(H,11,12,13)
InChIKeyLMORLMIPQFEXBD-UHFFFAOYSA-N
MW210.31 g/mol
LogP1.22
Rot. Bonds3

About 2-N-(thiolan-3-ylmethyl)pyrimidine-2,5-diamine

2-N-(thiolan-3-ylmethyl)pyrimidine-2,5-diamine (PubChem CID 107294936) has the molecular formula C9H14N4S and a molecular weight of 210.31 g/mol. Its IUPAC name is 2-N-(thiolan-3-ylmethyl)pyrimidine-2,5-diamine.

Molecular Properties

Compound Name2-N-(thiolan-3-ylmethyl)pyrimidine-2,5-diamine
PubChem CID107294936
Molecular FormulaC9H14N4S
Molecular Weight210.31 g/mol
Exact Mass210.09
IUPAC Name2-N-(thiolan-3-ylmethyl)pyrimidine-2,5-diamine
SMILESNc1cnc(NCC2CCSC2)nc1
InChIInChI=1S/C9H14N4S/c10-8-4-12-9(13-5-8)11-3-7-1-2-14-6-7/h4-5,7H,1-3,6,10H2,(H,11,12,13)
InChIKeyLMORLMIPQFEXBD-UHFFFAOYSA-N
XLogP1.22
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.31
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-(thiolan-3-ylmethyl)pyridine-2,4-diamine
CID 107294970
2-N-(oxan-4-ylmethyl)pyrimidine-2,5-diamine
CID 63726292
5-fluoro-N-(thian-4-ylmethyl)pyrimidin-2-amine
CID 115750149
5-chloro-N-(thian-4-ylmethyl)pyrimidin-2-amine
CID 115674171
5-bromo-2-N-(thiolan-3-ylmethyl)pyridine-2,3-diamine
CID 107294937
4-methyl-2-N-(thiolan-3-ylmethyl)pyridine-2,5-diamine
CID 107294876
N-(thiolan-3-ylmethyl)pyrimidin-5-amine
CID 107588267
2-N-(thian-2-ylmethyl)pyrimidine-2,5-diamine
CID 80595463
5-tert-butyl-N-(thiolan-3-ylmethyl)pyridin-2-amine
CID 114011625
2-chloro-5-methyl-N-(thiolan-3-ylmethyl)pyrimidin-4-amine
CID 107297738
5-fluoro-N-(thiolan-3-ylmethyl)pyridin-3-amine
CID 130485396
6-fluoro-N-(thiolan-3-ylmethyl)pyrimidin-4-amine
CID 107297717

Frequently Asked Questions

What is the IUPAC name of 2-N-(thiolan-3-ylmethyl)pyrimidine-2,5-diamine?
The IUPAC name of 2-N-(thiolan-3-ylmethyl)pyrimidine-2,5-diamine (CID 107294936) is 2-N-(thiolan-3-ylmethyl)pyrimidine-2,5-diamine.
What is the SMILES notation for 2-N-(thiolan-3-ylmethyl)pyrimidine-2,5-diamine?
The canonical SMILES for 2-N-(thiolan-3-ylmethyl)pyrimidine-2,5-diamine is Nc1cnc(NCC2CCSC2)nc1.
What is the InChIKey of 2-N-(thiolan-3-ylmethyl)pyrimidine-2,5-diamine?
The InChIKey is LMORLMIPQFEXBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4S/c10-8-4-12-9(13-5-8)11-3-7-1-2-14-6-7/h4-5,7H,1-3,6,10H2,(H,11,12,13).
What are the key properties of 2-N-(thiolan-3-ylmethyl)pyrimidine-2,5-diamine?
2-N-(thiolan-3-ylmethyl)pyrimidine-2,5-diamine has a molecular weight of 210.31 g/mol, XLogP of 1.22, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(thiolan-3-ylmethyl)pyrimidine-2,5-diamine is sourced from PubChem (CID 107294936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).