N-[3-[4,6-dimethyl-2-(methylsulfanylmethyl)pyrimidin-5-yl]propyl]cyclopropanamine

C14H23N3S — CID 55113678

IUPACN-[3-[4,6-dimethyl-2-(methylsulfanylmethyl)pyrimidin-5-yl]propyl]cyclopropanamine
SMILESCSCc1nc(C)c(CCCNC2CC2)c(C)n1
InChIInChI=1S/C14H23N3S/c1-10-13(5-4-8-15-12-6-7-12)11(2)17-14(16-10)9-18-3/h12,15H,4-9H2,1-3H3
InChIKeyYAFICLIQYDTSNX-UHFFFAOYSA-N
MW265.43 g/mol
LogP2.64
Rot. Bonds7

About N-[3-[4,6-dimethyl-2-(methylsulfanylmethyl)pyrimidin-5-yl]propyl]cyclopropanamine

N-[3-[4,6-dimethyl-2-(methylsulfanylmethyl)pyrimidin-5-yl]propyl]cyclopropanamine (PubChem CID 55113678) has the molecular formula C14H23N3S and a molecular weight of 265.43 g/mol. Its IUPAC name is N-[3-[4,6-dimethyl-2-(methylsulfanylmethyl)pyrimidin-5-yl]propyl]cyclopropanamine.

Molecular Properties

Compound NameN-[3-[4,6-dimethyl-2-(methylsulfanylmethyl)pyrimidin-5-yl]propyl]cyclopropanamine
PubChem CID55113678
Molecular FormulaC14H23N3S
Molecular Weight265.43 g/mol
Exact Mass265.16
IUPAC NameN-[3-[4,6-dimethyl-2-(methylsulfanylmethyl)pyrimidin-5-yl]propyl]cyclopropanamine
SMILESCSCc1nc(C)c(CCCNC2CC2)c(C)n1
InChIInChI=1S/C14H23N3S/c1-10-13(5-4-8-15-12-6-7-12)11(2)17-14(16-10)9-18-3/h12,15H,4-9H2,1-3H3
InChIKeyYAFICLIQYDTSNX-UHFFFAOYSA-N
XLogP2.64
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.43
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-[4,6-dimethyl-2-(methylsulfanylmethyl)pyrimidin-5-yl]-2-methylpropyl]cyclopropanamine
CID 65293543
N-[3-(2-cyclopentyl-4,6-dimethylpyrimidin-5-yl)propyl]cyclopropanamine
CID 62745618
N-[3-[4,6-dimethyl-2-(2-methylcyclopropyl)pyrimidin-5-yl]propyl]cyclopropanamine
CID 65420884
N-[2-(4,6-dimethyl-2-propylpyrimidin-5-yl)ethyl]cyclopropanamine
CID 62744769
N-[3-(4,6-dimethyl-2-piperidin-1-ylpyrimidin-5-yl)propyl]cyclopropanamine
CID 62744044
N-[3-[2-(1-methoxypropyl)-4,6-dimethylpyrimidin-5-yl]propyl]cyclopropanamine
CID 116731643
N-(3-methylsulfanylpropyl)cyclopropanamine
CID 28607191
N-[3-[2-(1-ethoxypropyl)-4,6-dimethylpyrimidin-5-yl]propyl]cyclopropanamine
CID 116731637
N-[2-(2-cycloheptyl-4,6-dimethylpyrimidin-5-yl)ethyl]cyclopropanamine
CID 65399429
N-[3-[4,6-dimethyl-2-(3-methylfuran-2-yl)pyrimidin-5-yl]propyl]cyclopropanamine
CID 104807289
3-[2-(cyclopentylsulfanylmethyl)-4,6-dimethylpyrimidin-5-yl]-N-ethylpropan-1-amine
CID 65140797
N-[2-[4,6-dimethyl-2-(thiolan-2-yl)pyrimidin-5-yl]ethyl]cyclopropanamine
CID 80637259

Frequently Asked Questions

What is the IUPAC name of N-[3-[4,6-dimethyl-2-(methylsulfanylmethyl)pyrimidin-5-yl]propyl]cyclopropanamine?
The IUPAC name of N-[3-[4,6-dimethyl-2-(methylsulfanylmethyl)pyrimidin-5-yl]propyl]cyclopropanamine (CID 55113678) is N-[3-[4,6-dimethyl-2-(methylsulfanylmethyl)pyrimidin-5-yl]propyl]cyclopropanamine.
What is the SMILES notation for N-[3-[4,6-dimethyl-2-(methylsulfanylmethyl)pyrimidin-5-yl]propyl]cyclopropanamine?
The canonical SMILES for N-[3-[4,6-dimethyl-2-(methylsulfanylmethyl)pyrimidin-5-yl]propyl]cyclopropanamine is CSCc1nc(C)c(CCCNC2CC2)c(C)n1.
What is the InChIKey of N-[3-[4,6-dimethyl-2-(methylsulfanylmethyl)pyrimidin-5-yl]propyl]cyclopropanamine?
The InChIKey is YAFICLIQYDTSNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3S/c1-10-13(5-4-8-15-12-6-7-12)11(2)17-14(16-10)9-18-3/h12,15H,4-9H2,1-3H3.
What are the key properties of N-[3-[4,6-dimethyl-2-(methylsulfanylmethyl)pyrimidin-5-yl]propyl]cyclopropanamine?
N-[3-[4,6-dimethyl-2-(methylsulfanylmethyl)pyrimidin-5-yl]propyl]cyclopropanamine has a molecular weight of 265.43 g/mol, XLogP of 2.64, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4,6-dimethyl-2-(methylsulfanylmethyl)pyrimidin-5-yl]propyl]cyclopropanamine is sourced from PubChem (CID 55113678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).