N-[2-[2-(tert-butylsulfanylmethyl)-4,6-dimethylpyrimidin-5-yl]propyl]cyclopropanamine

C17H29N3S — CID 65138253

IUPACN-[2-[2-(tert-butylsulfanylmethyl)-4,6-dimethylpyrimidin-5-yl]propyl]cyclopropanamine
SMILESCc1nc(CSC(C)(C)C)nc(C)c1C(C)CNC1CC1
InChIInChI=1S/C17H29N3S/c1-11(9-18-14-7-8-14)16-12(2)19-15(20-13(16)3)10-21-17(4,5)6/h11,14,18H,7-10H2,1-6H3
InChIKeyVJXXXUKKHUDLFN-UHFFFAOYSA-N
MW307.51 g/mol
LogP3.98
Rot. Bonds6

About N-[2-[2-(tert-butylsulfanylmethyl)-4,6-dimethylpyrimidin-5-yl]propyl]cyclopropanamine

N-[2-[2-(tert-butylsulfanylmethyl)-4,6-dimethylpyrimidin-5-yl]propyl]cyclopropanamine (PubChem CID 65138253) has the molecular formula C17H29N3S and a molecular weight of 307.51 g/mol. Its IUPAC name is N-[2-[2-(tert-butylsulfanylmethyl)-4,6-dimethylpyrimidin-5-yl]propyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[2-(tert-butylsulfanylmethyl)-4,6-dimethylpyrimidin-5-yl]propyl]cyclopropanamine
PubChem CID65138253
Molecular FormulaC17H29N3S
Molecular Weight307.51 g/mol
Exact Mass307.21
IUPAC NameN-[2-[2-(tert-butylsulfanylmethyl)-4,6-dimethylpyrimidin-5-yl]propyl]cyclopropanamine
SMILESCc1nc(CSC(C)(C)C)nc(C)c1C(C)CNC1CC1
InChIInChI=1S/C17H29N3S/c1-11(9-18-14-7-8-14)16-12(2)19-15(20-13(16)3)10-21-17(4,5)6/h11,14,18H,7-10H2,1-6H3
InChIKeyVJXXXUKKHUDLFN-UHFFFAOYSA-N
XLogP3.98
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.51
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-[2-(tert-butylsulfanylmethyl)-4,6-dimethylpyrimidin-5-yl]propyl]cyclopropanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-[4,6-dimethyl-2-(oxolan-2-ylmethyl)pyrimidin-5-yl]propyl]cyclopropanamine
CID 62756381
N-[2-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)propyl]cyclopropanamine
CID 62756927
N-[3-[4,6-dimethyl-2-(methylsulfanylmethyl)pyrimidin-5-yl]-2-methylpropyl]cyclopropanamine
CID 65293543
N-[2-(4,6-dimethyl-2-pyridin-2-ylpyrimidin-5-yl)propyl]cyclopropanamine
CID 62756382
N-[2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propyl]cyclopropanamine
CID 79225549
N-[2-[3,5-dimethyl-1-(3-methylbutyl)pyrazol-4-yl]propyl]cyclopropanamine
CID 79225433
2-[4,6-dimethyl-2-(2-methylpropylsulfanylmethyl)pyrimidin-5-yl]-N-propan-2-ylpropan-1-amine
CID 65137564
N-[4-(4,5-dimethyl-1,3-thiazol-2-yl)-2,3-dimethylbutyl]cyclopropanamine
CID 81015096
(1S)-1-[2-(tert-butylsulfanylmethyl)-4-methylpyrimidin-5-yl]ethanamine
CID 103431963
N-[[2-(tert-butylsulfanylmethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]cyclopropanamine
CID 81424957
N-[3-[4,6-dimethyl-2-(methylsulfanylmethyl)pyrimidin-5-yl]propyl]cyclopropanamine
CID 55113678
N-[2-[1-(2-chlorophenyl)-3,5-dimethylpyrazol-4-yl]propyl]cyclopropanamine
CID 79219858

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(tert-butylsulfanylmethyl)-4,6-dimethylpyrimidin-5-yl]propyl]cyclopropanamine?
The IUPAC name of N-[2-[2-(tert-butylsulfanylmethyl)-4,6-dimethylpyrimidin-5-yl]propyl]cyclopropanamine (CID 65138253) is N-[2-[2-(tert-butylsulfanylmethyl)-4,6-dimethylpyrimidin-5-yl]propyl]cyclopropanamine.
What is the SMILES notation for N-[2-[2-(tert-butylsulfanylmethyl)-4,6-dimethylpyrimidin-5-yl]propyl]cyclopropanamine?
The canonical SMILES for N-[2-[2-(tert-butylsulfanylmethyl)-4,6-dimethylpyrimidin-5-yl]propyl]cyclopropanamine is Cc1nc(CSC(C)(C)C)nc(C)c1C(C)CNC1CC1.
What is the InChIKey of N-[2-[2-(tert-butylsulfanylmethyl)-4,6-dimethylpyrimidin-5-yl]propyl]cyclopropanamine?
The InChIKey is VJXXXUKKHUDLFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3S/c1-11(9-18-14-7-8-14)16-12(2)19-15(20-13(16)3)10-21-17(4,5)6/h11,14,18H,7-10H2,1-6H3.
What are the key properties of N-[2-[2-(tert-butylsulfanylmethyl)-4,6-dimethylpyrimidin-5-yl]propyl]cyclopropanamine?
N-[2-[2-(tert-butylsulfanylmethyl)-4,6-dimethylpyrimidin-5-yl]propyl]cyclopropanamine has a molecular weight of 307.51 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(tert-butylsulfanylmethyl)-4,6-dimethylpyrimidin-5-yl]propyl]cyclopropanamine is sourced from PubChem (CID 65138253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).