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

C10H15N3S — CID 62757142

IUPACN-[[2-(methylsulfanylmethyl)pyrimidin-5-yl]methyl]cyclopropanamine
SMILESCSCc1ncc(CNC2CC2)cn1
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
MW209.32 g/mol
LogP1.59
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 209.32 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 Weight209.32 g/mol
Exact Mass209.10
IUPAC NameN-[[2-(methylsulfanylmethyl)pyrimidin-5-yl]methyl]cyclopropanamine
SMILESCSCc1ncc(CNC2CC2)cn1
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
XLogP1.59
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.32
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-[(4-bromophenyl)methyl]pyrimidin-5-yl]methyl]cyclopropanamine
CID 62755336
N-[(2-cyclopropylpyrimidin-5-yl)methyl]cyclopropanamine
CID 62757323
N-[[2-(methylsulfanylmethyl)-1H-imidazol-5-yl]methyl]cyclopropanamine
CID 63109014
N-[[2-[(3,4-dichlorophenyl)methyl]pyrimidin-5-yl]methyl]cyclopropanamine
CID 62757509
N-[(6-methyl-3-pyridinyl)methyl]cyclopropanamine
CID 43163855
5-[(cyclopropylamino)methyl]-N-methyl-N-(2-methylsulfanylethyl)pyridin-2-amine
CID 112662259
N-[[2-(1-methylsulfonylethyl)pyrimidin-5-yl]methyl]cyclopropanamine
CID 116633398
N-[[2-(4-ethylcyclohexyl)pyrimidin-5-yl]methyl]cyclopropanamine
CID 65391135
N-[(2-thiophen-2-ylsulfanylpyrimidin-5-yl)methyl]cyclopropanamine
CID 113388628
N-[[2-(azepan-1-yl)pyrimidin-5-yl]methyl]cyclopropanamine
CID 55113924
N-[(6-chloro-3-pyridinyl)methyl]cyclopropanamine
CID 53385515
N-[[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyrimidin-5-yl]methyl]cyclopropanamine
CID 113388685

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 CSCc1ncc(CNC2CC2)cn1.
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 209.32 g/mol, XLogP of 1.59, 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).