2-N-methyl-2-N-(thiolan-3-yl)pyrimidine-2,5-diamine

C9H14N4S — CID 61145624

IUPAC2-N-methyl-2-N-(thiolan-3-yl)pyrimidine-2,5-diamine
SMILESCN(c1ncc(N)cn1)C1CCSC1
InChIInChI=1S/C9H14N4S/c1-13(8-2-3-14-6-8)9-11-4-7(10)5-12-9/h4-5,8H,2-3,6,10H2,1H3
InChIKeyOLLJULYHODDYIQ-UHFFFAOYSA-N
MW210.31 g/mol
LogP1.00
Rot. Bonds2

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

2-N-methyl-2-N-(thiolan-3-yl)pyrimidine-2,5-diamine (PubChem CID 61145624) has the molecular formula C9H14N4S and a molecular weight of 210.31 g/mol. Its IUPAC name is 2-N-methyl-2-N-(thiolan-3-yl)pyrimidine-2,5-diamine.

Molecular Properties

Compound Name2-N-methyl-2-N-(thiolan-3-yl)pyrimidine-2,5-diamine
PubChem CID61145624
Molecular FormulaC9H14N4S
Molecular Weight210.31 g/mol
Exact Mass210.09
IUPAC Name2-N-methyl-2-N-(thiolan-3-yl)pyrimidine-2,5-diamine
SMILESCN(c1ncc(N)cn1)C1CCSC1
InChIInChI=1S/C9H14N4S/c1-13(8-2-3-14-6-8)9-11-4-7(10)5-12-9/h4-5,8H,2-3,6,10H2,1H3
InChIKeyOLLJULYHODDYIQ-UHFFFAOYSA-N
XLogP1.00
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.31
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-2-N-(thiolan-3-yl)pyrimidine-2,5-diamine?
The IUPAC name of 2-N-methyl-2-N-(thiolan-3-yl)pyrimidine-2,5-diamine (CID 61145624) is 2-N-methyl-2-N-(thiolan-3-yl)pyrimidine-2,5-diamine.
What is the SMILES notation for 2-N-methyl-2-N-(thiolan-3-yl)pyrimidine-2,5-diamine?
The canonical SMILES for 2-N-methyl-2-N-(thiolan-3-yl)pyrimidine-2,5-diamine is CN(c1ncc(N)cn1)C1CCSC1.
What is the InChIKey of 2-N-methyl-2-N-(thiolan-3-yl)pyrimidine-2,5-diamine?
The InChIKey is OLLJULYHODDYIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4S/c1-13(8-2-3-14-6-8)9-11-4-7(10)5-12-9/h4-5,8H,2-3,6,10H2,1H3.
What are the key properties of 2-N-methyl-2-N-(thiolan-3-yl)pyrimidine-2,5-diamine?
2-N-methyl-2-N-(thiolan-3-yl)pyrimidine-2,5-diamine has a molecular weight of 210.31 g/mol, XLogP of 1.00, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-2-N-(thiolan-3-yl)pyrimidine-2,5-diamine is sourced from PubChem (CID 61145624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).