N-(thiolan-3-yl)pyrimidin-4-amine

C8H11N3S — CID 103063402

IUPACN-(thiolan-3-yl)pyrimidin-4-amine
SMILESc1cc(NC2CCSC2)ncn1
InChIInChI=1S/C8H11N3S/c1-3-9-6-10-8(1)11-7-2-4-12-5-7/h1,3,6-7H,2,4-5H2,(H,9,10,11)
InChIKeyMHFLRUKKPAUZAF-UHFFFAOYSA-N
MW181.26 g/mol
LogP1.39
Rot. Bonds2

About N-(thiolan-3-yl)pyrimidin-4-amine

N-(thiolan-3-yl)pyrimidin-4-amine (PubChem CID 103063402) has the molecular formula C8H11N3S and a molecular weight of 181.26 g/mol. Its IUPAC name is N-(thiolan-3-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-(thiolan-3-yl)pyrimidin-4-amine
PubChem CID103063402
Molecular FormulaC8H11N3S
Molecular Weight181.26 g/mol
Exact Mass181.07
IUPAC NameN-(thiolan-3-yl)pyrimidin-4-amine
SMILESc1cc(NC2CCSC2)ncn1
InChIInChI=1S/C8H11N3S/c1-3-9-6-10-8(1)11-7-2-4-12-5-7/h1,3,6-7H,2,4-5H2,(H,9,10,11)
InChIKeyMHFLRUKKPAUZAF-UHFFFAOYSA-N
XLogP1.39
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.26
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(thiolan-3-yl)pyrimidin-4-amine?
The IUPAC name of N-(thiolan-3-yl)pyrimidin-4-amine (CID 103063402) is N-(thiolan-3-yl)pyrimidin-4-amine.
What is the SMILES notation for N-(thiolan-3-yl)pyrimidin-4-amine?
The canonical SMILES for N-(thiolan-3-yl)pyrimidin-4-amine is c1cc(NC2CCSC2)ncn1.
What is the InChIKey of N-(thiolan-3-yl)pyrimidin-4-amine?
The InChIKey is MHFLRUKKPAUZAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3S/c1-3-9-6-10-8(1)11-7-2-4-12-5-7/h1,3,6-7H,2,4-5H2,(H,9,10,11).
What are the key properties of N-(thiolan-3-yl)pyrimidin-4-amine?
N-(thiolan-3-yl)pyrimidin-4-amine has a molecular weight of 181.26 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(thiolan-3-yl)pyrimidin-4-amine is sourced from PubChem (CID 103063402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).