N-[[2-(methylsulfanylmethyl)pyrimidin-5-yl]methyl]cyclopropanamine

C10H15N3S — CID 62757142

IUPACN-[[2-(methylsulfanylmethyl)pyrimidin-5-yl]methyl]cyclopropanamine
SMILESCSCC1=NC=C(C=N1)CNC2CC2
InChIInChI=1S/C10H15N3S/c1-14-7-10-12-5-8(6-13-10)4-11-9-2-3-9/h5-6,9,11H,2-4,7H2,1H3
InChIKeyATJRRSVAZJNMFW-UHFFFAOYSA-N
MW209.31 g/mol
LogP0.60
Rot. Bonds5

About N-[[2-(methylsulfanylmethyl)pyrimidin-5-yl]methyl]cyclopropanamine

N-[[2-(methylsulfanylmethyl)pyrimidin-5-yl]methyl]cyclopropanamine (PubChem CID 62757142) has the molecular formula C10H15N3S and a molecular weight of 209.31 g/mol. Its IUPAC name is N-[[2-(methylsulfanylmethyl)pyrimidin-5-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(methylsulfanylmethyl)pyrimidin-5-yl]methyl]cyclopropanamine
PubChem CID62757142
Molecular FormulaC10H15N3S
Molecular Weight209.31 g/mol
Exact Mass209.10
IUPAC NameN-[[2-(methylsulfanylmethyl)pyrimidin-5-yl]methyl]cyclopropanamine
SMILESCSCC1=NC=C(C=N1)CNC2CC2
InChIInChI=1S/C10H15N3S/c1-14-7-10-12-5-8(6-13-10)4-11-9-2-3-9/h5-6,9,11H,2-4,7H2,1H3
InChIKeyATJRRSVAZJNMFW-UHFFFAOYSA-N
XLogP0.60
TPSA63.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity165

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(methylsulfanylmethyl)pyrimidin-5-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(methylsulfanylmethyl)pyrimidin-5-yl]methyl]cyclopropanamine (CID 62757142) is N-[[2-(methylsulfanylmethyl)pyrimidin-5-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(methylsulfanylmethyl)pyrimidin-5-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(methylsulfanylmethyl)pyrimidin-5-yl]methyl]cyclopropanamine is CSCC1=NC=C(C=N1)CNC2CC2.
What is the InChIKey of N-[[2-(methylsulfanylmethyl)pyrimidin-5-yl]methyl]cyclopropanamine?
The InChIKey is ATJRRSVAZJNMFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3S/c1-14-7-10-12-5-8(6-13-10)4-11-9-2-3-9/h5-6,9,11H,2-4,7H2,1H3.
What are the key properties of N-[[2-(methylsulfanylmethyl)pyrimidin-5-yl]methyl]cyclopropanamine?
N-[[2-(methylsulfanylmethyl)pyrimidin-5-yl]methyl]cyclopropanamine has a molecular weight of 209.31 g/mol, XLogP of 0.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(methylsulfanylmethyl)pyrimidin-5-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62757142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).