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

C15H25N3S — CID 65293543

IUPACN-[3-[4,6-dimethyl-2-(methylsulfanylmethyl)pyrimidin-5-yl]-2-methylpropyl]cyclopropanamine
SMILESCSCc1nc(C)c(CC(C)CNC2CC2)c(C)n1
InChIInChI=1S/C15H25N3S/c1-10(8-16-13-5-6-13)7-14-11(2)17-15(9-19-4)18-12(14)3/h10,13,16H,5-9H2,1-4H3
InChIKeyNONLPDSDGCCLIR-UHFFFAOYSA-N
MW279.45 g/mol
LogP2.89
Rot. Bonds7

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

N-[3-[4,6-dimethyl-2-(methylsulfanylmethyl)pyrimidin-5-yl]-2-methylpropyl]cyclopropanamine (PubChem CID 65293543) has the molecular formula C15H25N3S and a molecular weight of 279.45 g/mol. Its IUPAC name is N-[3-[4,6-dimethyl-2-(methylsulfanylmethyl)pyrimidin-5-yl]-2-methylpropyl]cyclopropanamine.

Molecular Properties

Compound NameN-[3-[4,6-dimethyl-2-(methylsulfanylmethyl)pyrimidin-5-yl]-2-methylpropyl]cyclopropanamine
PubChem CID65293543
Molecular FormulaC15H25N3S
Molecular Weight279.45 g/mol
Exact Mass279.18
IUPAC NameN-[3-[4,6-dimethyl-2-(methylsulfanylmethyl)pyrimidin-5-yl]-2-methylpropyl]cyclopropanamine
SMILESCSCc1nc(C)c(CC(C)CNC2CC2)c(C)n1
InChIInChI=1S/C15H25N3S/c1-10(8-16-13-5-6-13)7-14-11(2)17-15(9-19-4)18-12(14)3/h10,13,16H,5-9H2,1-4H3
InChIKeyNONLPDSDGCCLIR-UHFFFAOYSA-N
XLogP2.89
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.45
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4,6-dimethyl-2-(methylsulfanylmethyl)pyrimidin-5-yl]-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 65293453
N-[3-[4,6-dimethyl-2-(methylsulfanylmethyl)pyrimidin-5-yl]propyl]cyclopropanamine
CID 55113678
N-[3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-methylpropyl]cyclopropanamine
CID 79224989
3-[4,6-dimethyl-2-(propan-2-ylsulfanylmethyl)pyrimidin-5-yl]-2-methyl-N-propan-2-ylpropan-1-amine
CID 65294013
N-[2-[2-(tert-butylsulfanylmethyl)-4,6-dimethylpyrimidin-5-yl]propyl]cyclopropanamine
CID 65138253
3-[3-(cyclopropylamino)-2-methylpropyl]-5-methylpyridin-2-amine
CID 64664363
N-[4-(4,5-dimethyl-1,3-thiazol-2-yl)-2,3-dimethylbutyl]cyclopropanamine
CID 81015096
3-(2-cyclopentyl-4,6-dimethylpyrimidin-5-yl)-N,2-dimethylpropan-1-amine
CID 65293724
N-[2-methyl-3-(6-methyl-3-pyridinyl)propyl]cyclopropanamine
CID 64666694
3-(4,6-dimethyl-2-propylpyrimidin-5-yl)-2-methyl-N-propan-2-ylpropan-1-amine
CID 65293588
3-[4,6-dimethyl-2-(thiolan-2-yl)pyrimidin-5-yl]-2-methyl-N-propan-2-ylpropan-1-amine
CID 80631067
N-[3-(5-fluoro-3-pyridinyl)-2-methylpropyl]cyclopropanamine
CID 64666695

Frequently Asked Questions

What is the IUPAC name of N-[3-[4,6-dimethyl-2-(methylsulfanylmethyl)pyrimidin-5-yl]-2-methylpropyl]cyclopropanamine?
The IUPAC name of N-[3-[4,6-dimethyl-2-(methylsulfanylmethyl)pyrimidin-5-yl]-2-methylpropyl]cyclopropanamine (CID 65293543) is N-[3-[4,6-dimethyl-2-(methylsulfanylmethyl)pyrimidin-5-yl]-2-methylpropyl]cyclopropanamine.
What is the SMILES notation for N-[3-[4,6-dimethyl-2-(methylsulfanylmethyl)pyrimidin-5-yl]-2-methylpropyl]cyclopropanamine?
The canonical SMILES for N-[3-[4,6-dimethyl-2-(methylsulfanylmethyl)pyrimidin-5-yl]-2-methylpropyl]cyclopropanamine is CSCc1nc(C)c(CC(C)CNC2CC2)c(C)n1.
What is the InChIKey of N-[3-[4,6-dimethyl-2-(methylsulfanylmethyl)pyrimidin-5-yl]-2-methylpropyl]cyclopropanamine?
The InChIKey is NONLPDSDGCCLIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3S/c1-10(8-16-13-5-6-13)7-14-11(2)17-15(9-19-4)18-12(14)3/h10,13,16H,5-9H2,1-4H3.
What are the key properties of N-[3-[4,6-dimethyl-2-(methylsulfanylmethyl)pyrimidin-5-yl]-2-methylpropyl]cyclopropanamine?
N-[3-[4,6-dimethyl-2-(methylsulfanylmethyl)pyrimidin-5-yl]-2-methylpropyl]cyclopropanamine has a molecular weight of 279.45 g/mol, XLogP of 2.89, 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]-2-methylpropyl]cyclopropanamine is sourced from PubChem (CID 65293543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).