N-[[4,6-dimethyl-2-(thiophen-2-ylmethyl)pyrimidin-5-yl]methyl]cyclopropanamine

C15H19N3S — CID 62746521

IUPACN-[[4,6-dimethyl-2-(thiophen-2-ylmethyl)pyrimidin-5-yl]methyl]cyclopropanamine
SMILESCc1nc(Cc2cccs2)nc(C)c1CNC1CC1
InChIInChI=1S/C15H19N3S/c1-10-14(9-16-12-5-6-12)11(2)18-15(17-10)8-13-4-3-7-19-13/h3-4,7,12,16H,5-6,8-9H2,1-2H3
InChIKeyYUBRFHAIVSOTCM-UHFFFAOYSA-N
MW273.40 g/mol
LogP3.00
Rot. Bonds5

About N-[[4,6-dimethyl-2-(thiophen-2-ylmethyl)pyrimidin-5-yl]methyl]cyclopropanamine

N-[[4,6-dimethyl-2-(thiophen-2-ylmethyl)pyrimidin-5-yl]methyl]cyclopropanamine (PubChem CID 62746521) has the molecular formula C15H19N3S and a molecular weight of 273.40 g/mol. Its IUPAC name is N-[[4,6-dimethyl-2-(thiophen-2-ylmethyl)pyrimidin-5-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4,6-dimethyl-2-(thiophen-2-ylmethyl)pyrimidin-5-yl]methyl]cyclopropanamine
PubChem CID62746521
Molecular FormulaC15H19N3S
Molecular Weight273.40 g/mol
Exact Mass273.13
IUPAC NameN-[[4,6-dimethyl-2-(thiophen-2-ylmethyl)pyrimidin-5-yl]methyl]cyclopropanamine
SMILESCc1nc(Cc2cccs2)nc(C)c1CNC1CC1
InChIInChI=1S/C15H19N3S/c1-10-14(9-16-12-5-6-12)11(2)18-15(17-10)8-13-4-3-7-19-13/h3-4,7,12,16H,5-6,8-9H2,1-2H3
InChIKeyYUBRFHAIVSOTCM-UHFFFAOYSA-N
XLogP3.00
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(thiophen-2-ylmethylamino)cyclohexan-1-ol
CID 43178546
4-fluoro-N-(thiophen-2-ylmethyl)cyclohexan-1-amine
CID 130678026
N-(thiophen-2-ylmethyl)cycloheptanamine
CID 4719997
N-[[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]methyl]cyclopropanamine
CID 62746377
5-[(cyclopropylamino)methyl]-N,4-dimethyl-N-(thiophen-2-ylmethyl)pyrimidin-2-amine
CID 83185706
5-bromo-4-chloro-6-methyl-2-(thiophen-2-ylmethyl)pyrimidine
CID 66294351
cis-(1R,3S)-3-methyl-N-(thiophen-2-ylmethyl)cyclopentan-1-amine
CID 95376419
5-bromo-N-ethyl-6-methyl-2-(thiophen-2-ylmethyl)pyrimidin-4-amine
CID 66306673
4-methyl-2-(thiophen-2-ylmethyl)pyrimidin-5-amine
CID 130483640
[6-methyl-5-propan-2-yl-2-(thiophen-2-ylmethyl)pyrimidin-4-yl]hydrazine
CID 62915896
N-[[4,6-dimethyl-2-(oxolan-2-ylmethyl)pyrimidin-5-yl]methyl]cyclopropanamine
CID 62746529
N-[(4,6-dimethyl-2-pyridin-2-ylpyrimidin-5-yl)methyl]cyclopropanamine
CID 62746207

Frequently Asked Questions

What is the IUPAC name of N-[[4,6-dimethyl-2-(thiophen-2-ylmethyl)pyrimidin-5-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[4,6-dimethyl-2-(thiophen-2-ylmethyl)pyrimidin-5-yl]methyl]cyclopropanamine (CID 62746521) is N-[[4,6-dimethyl-2-(thiophen-2-ylmethyl)pyrimidin-5-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4,6-dimethyl-2-(thiophen-2-ylmethyl)pyrimidin-5-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4,6-dimethyl-2-(thiophen-2-ylmethyl)pyrimidin-5-yl]methyl]cyclopropanamine is Cc1nc(Cc2cccs2)nc(C)c1CNC1CC1.
What is the InChIKey of N-[[4,6-dimethyl-2-(thiophen-2-ylmethyl)pyrimidin-5-yl]methyl]cyclopropanamine?
The InChIKey is YUBRFHAIVSOTCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3S/c1-10-14(9-16-12-5-6-12)11(2)18-15(17-10)8-13-4-3-7-19-13/h3-4,7,12,16H,5-6,8-9H2,1-2H3.
What are the key properties of N-[[4,6-dimethyl-2-(thiophen-2-ylmethyl)pyrimidin-5-yl]methyl]cyclopropanamine?
N-[[4,6-dimethyl-2-(thiophen-2-ylmethyl)pyrimidin-5-yl]methyl]cyclopropanamine has a molecular weight of 273.40 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4,6-dimethyl-2-(thiophen-2-ylmethyl)pyrimidin-5-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62746521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).