N-(thiophen-2-ylmethyl)pyrimidin-2-amine

C9H9N3S — CID 1445614

IUPACN-(thiophen-2-ylmethyl)pyrimidin-2-amine
SMILESc1cnc(NCc2cccs2)nc1
InChIInChI=1S/C9H9N3S/c1-3-8(13-6-1)7-12-9-10-4-2-5-11-9/h1-6H,7H2,(H,10,11,12)
InChIKeyCFXFPWDROOYWLH-UHFFFAOYSA-N
MW191.26 g/mol
LogP2.15
Rot. Bonds3

About N-(thiophen-2-ylmethyl)pyrimidin-2-amine

N-(thiophen-2-ylmethyl)pyrimidin-2-amine (PubChem CID 1445614) has the molecular formula C9H9N3S and a molecular weight of 191.26 g/mol. Its IUPAC name is N-(thiophen-2-ylmethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(thiophen-2-ylmethyl)pyrimidin-2-amine
PubChem CID1445614
Molecular FormulaC9H9N3S
Molecular Weight191.26 g/mol
Exact Mass191.05
IUPAC NameN-(thiophen-2-ylmethyl)pyrimidin-2-amine
SMILESc1cnc(NCc2cccs2)nc1
InChIInChI=1S/C9H9N3S/c1-3-8(13-6-1)7-12-9-10-4-2-5-11-9/h1-6H,7H2,(H,10,11,12)
InChIKeyCFXFPWDROOYWLH-UHFFFAOYSA-N
XLogP2.15
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.26
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(thiophen-2-ylmethyl)pyrimidin-2-amine?
The IUPAC name of N-(thiophen-2-ylmethyl)pyrimidin-2-amine (CID 1445614) is N-(thiophen-2-ylmethyl)pyrimidin-2-amine.
What is the SMILES notation for N-(thiophen-2-ylmethyl)pyrimidin-2-amine?
The canonical SMILES for N-(thiophen-2-ylmethyl)pyrimidin-2-amine is c1cnc(NCc2cccs2)nc1.
What is the InChIKey of N-(thiophen-2-ylmethyl)pyrimidin-2-amine?
The InChIKey is CFXFPWDROOYWLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3S/c1-3-8(13-6-1)7-12-9-10-4-2-5-11-9/h1-6H,7H2,(H,10,11,12).
What are the key properties of N-(thiophen-2-ylmethyl)pyrimidin-2-amine?
N-(thiophen-2-ylmethyl)pyrimidin-2-amine has a molecular weight of 191.26 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(thiophen-2-ylmethyl)pyrimidin-2-amine is sourced from PubChem (CID 1445614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).