N-[2-[4,6-dimethyl-2-(thiolan-2-yl)pyrimidin-5-yl]ethyl]cyclopropanamine

C15H23N3S — CID 80637259

IUPACN-[2-[4,6-dimethyl-2-(thiolan-2-yl)pyrimidin-5-yl]ethyl]cyclopropanamine
SMILESCc1nc(C2CCCS2)nc(C)c1CCNC1CC1
InChIInChI=1S/C15H23N3S/c1-10-13(7-8-16-12-5-6-12)11(2)18-15(17-10)14-4-3-9-19-14/h12,14,16H,3-9H2,1-2H3
InChIKeyCZZSMCGJBASRBR-UHFFFAOYSA-N
MW277.44 g/mol
LogP2.96
Rot. Bonds5

About N-[2-[4,6-dimethyl-2-(thiolan-2-yl)pyrimidin-5-yl]ethyl]cyclopropanamine

N-[2-[4,6-dimethyl-2-(thiolan-2-yl)pyrimidin-5-yl]ethyl]cyclopropanamine (PubChem CID 80637259) has the molecular formula C15H23N3S and a molecular weight of 277.44 g/mol. Its IUPAC name is N-[2-[4,6-dimethyl-2-(thiolan-2-yl)pyrimidin-5-yl]ethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[4,6-dimethyl-2-(thiolan-2-yl)pyrimidin-5-yl]ethyl]cyclopropanamine
PubChem CID80637259
Molecular FormulaC15H23N3S
Molecular Weight277.44 g/mol
Exact Mass277.16
IUPAC NameN-[2-[4,6-dimethyl-2-(thiolan-2-yl)pyrimidin-5-yl]ethyl]cyclopropanamine
SMILESCc1nc(C2CCCS2)nc(C)c1CCNC1CC1
InChIInChI=1S/C15H23N3S/c1-10-13(7-8-16-12-5-6-12)11(2)18-15(17-10)14-4-3-9-19-14/h12,14,16H,3-9H2,1-2H3
InChIKeyCZZSMCGJBASRBR-UHFFFAOYSA-N
XLogP2.96
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.44
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[4,6-dimethyl-2-(thiolan-2-yl)pyrimidin-5-yl]ethyl]-2-methylpropan-2-amine
CID 80637395
N-[2-(2-cycloheptyl-4,6-dimethylpyrimidin-5-yl)ethyl]cyclopropanamine
CID 65399429
N-[2-[4,6-dimethyl-2-(thian-2-yl)pyrimidin-5-yl]ethyl]-2-methylpropan-2-amine
CID 80630950
N-[3-[4,6-dimethyl-2-(thiolan-2-yl)pyrimidin-5-yl]propyl]-2-methylpropan-1-amine
CID 80630948
3-[4,6-dimethyl-2-(thian-2-yl)pyrimidin-5-yl]-N-methylpropan-1-amine
CID 80637394
2-[4,6-dimethyl-2-(thian-2-yl)pyrimidin-5-yl]-N-(2-methoxyethyl)ethanamine
CID 80630952
N-[3-(2-cyclopentyl-4,6-dimethylpyrimidin-5-yl)propyl]cyclopropanamine
CID 62745618
3-[4,6-dimethyl-2-(thiolan-2-yl)pyrimidin-5-yl]-2-methyl-N-propan-2-ylpropan-1-amine
CID 80631067
N-[2-(4,6-dimethyl-2-propylpyrimidin-5-yl)ethyl]cyclopropanamine
CID 62744769
N-[3-[4,6-dimethyl-2-(2-methylcyclopropyl)pyrimidin-5-yl]propyl]cyclopropanamine
CID 65420884
N-[2-[2-(1,1-dioxothiolan-3-yl)-4,6-dimethylpyrimidin-5-yl]ethyl]cyclopropanamine
CID 115337427
2-[4,6-dimethyl-2-(thiolan-2-yl)pyrimidin-5-yl]-N-(2-methoxyethyl)propan-1-amine
CID 80630958

Frequently Asked Questions

What is the IUPAC name of N-[2-[4,6-dimethyl-2-(thiolan-2-yl)pyrimidin-5-yl]ethyl]cyclopropanamine?
The IUPAC name of N-[2-[4,6-dimethyl-2-(thiolan-2-yl)pyrimidin-5-yl]ethyl]cyclopropanamine (CID 80637259) is N-[2-[4,6-dimethyl-2-(thiolan-2-yl)pyrimidin-5-yl]ethyl]cyclopropanamine.
What is the SMILES notation for N-[2-[4,6-dimethyl-2-(thiolan-2-yl)pyrimidin-5-yl]ethyl]cyclopropanamine?
The canonical SMILES for N-[2-[4,6-dimethyl-2-(thiolan-2-yl)pyrimidin-5-yl]ethyl]cyclopropanamine is Cc1nc(C2CCCS2)nc(C)c1CCNC1CC1.
What is the InChIKey of N-[2-[4,6-dimethyl-2-(thiolan-2-yl)pyrimidin-5-yl]ethyl]cyclopropanamine?
The InChIKey is CZZSMCGJBASRBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3S/c1-10-13(7-8-16-12-5-6-12)11(2)18-15(17-10)14-4-3-9-19-14/h12,14,16H,3-9H2,1-2H3.
What are the key properties of N-[2-[4,6-dimethyl-2-(thiolan-2-yl)pyrimidin-5-yl]ethyl]cyclopropanamine?
N-[2-[4,6-dimethyl-2-(thiolan-2-yl)pyrimidin-5-yl]ethyl]cyclopropanamine has a molecular weight of 277.44 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4,6-dimethyl-2-(thiolan-2-yl)pyrimidin-5-yl]ethyl]cyclopropanamine is sourced from PubChem (CID 80637259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).