5-[(cyclopropylamino)methyl]-N,4-dimethyl-N-(thiophen-2-ylmethyl)pyrimidin-2-amine

C15H20N4S — CID 83185706

IUPAC5-[(cyclopropylamino)methyl]-N,4-dimethyl-N-(thiophen-2-ylmethyl)pyrimidin-2-amine
SMILESCc1nc(N(C)Cc2cccs2)ncc1CNC1CC1
InChIInChI=1S/C15H20N4S/c1-11-12(8-16-13-5-6-13)9-17-15(18-11)19(2)10-14-4-3-7-20-14/h3-4,7,9,13,16H,5-6,8,10H2,1-2H3
InChIKeyNKLVHQZVHXMQTK-UHFFFAOYSA-N
MW288.42 g/mol
LogP2.73
Rot. Bonds6

About 5-[(cyclopropylamino)methyl]-N,4-dimethyl-N-(thiophen-2-ylmethyl)pyrimidin-2-amine

5-[(cyclopropylamino)methyl]-N,4-dimethyl-N-(thiophen-2-ylmethyl)pyrimidin-2-amine (PubChem CID 83185706) has the molecular formula C15H20N4S and a molecular weight of 288.42 g/mol. Its IUPAC name is 5-[(cyclopropylamino)methyl]-N,4-dimethyl-N-(thiophen-2-ylmethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-[(cyclopropylamino)methyl]-N,4-dimethyl-N-(thiophen-2-ylmethyl)pyrimidin-2-amine
PubChem CID83185706
Molecular FormulaC15H20N4S
Molecular Weight288.42 g/mol
Exact Mass288.14
IUPAC Name5-[(cyclopropylamino)methyl]-N,4-dimethyl-N-(thiophen-2-ylmethyl)pyrimidin-2-amine
SMILESCc1nc(N(C)Cc2cccs2)ncc1CNC1CC1
InChIInChI=1S/C15H20N4S/c1-11-12(8-16-13-5-6-13)9-17-15(18-11)19(2)10-14-4-3-7-20-14/h3-4,7,9,13,16H,5-6,8,10H2,1-2H3
InChIKeyNKLVHQZVHXMQTK-UHFFFAOYSA-N
XLogP2.73
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(cyclopropylamino)methyl]-N-methyl-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 62280283
6-[(cyclopropylamino)methyl]-N-methyl-N-(thiophen-2-ylmethyl)pyrazin-2-amine
CID 66457006
5-[(cyclopropylamino)methyl]-N,4-dimethyl-N-(oxan-3-ylmethyl)pyrimidin-2-amine
CID 83179651
N-butan-2-yl-5-[(cyclopropylamino)methyl]-N,4-dimethylpyrimidin-2-amine
CID 83186362
5-[(cyclopropylamino)methyl]-N,4-dimethyl-N-(thiolan-3-yl)pyrimidin-2-amine
CID 83186208
N-cyclopropyl-N'-methyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 60843550
5-(chloromethyl)-4-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyrimidin-2-amine
CID 83184144
5-[(cyclopropylamino)methyl]-N,3-dimethyl-N-(2-thiophen-2-ylethyl)pyridin-2-amine
CID 80636888
1-N-cyclopropyl-3-N-methyl-3-N-(thiophen-2-ylmethyl)butane-1,3-diamine
CID 62420794
N-[[2-[[methyl(2-thiophen-2-ylethyl)amino]methyl]phenyl]methyl]cyclopropanamine
CID 79490840
N-[[4,6-dimethyl-2-(thiophen-2-ylmethyl)pyrimidin-5-yl]methyl]cyclopropanamine
CID 62746521
5-(ethylaminomethyl)-N-methyl-N-(thiophen-2-ylmethyl)pyrimidin-2-amine
CID 113388061

Frequently Asked Questions

What is the IUPAC name of 5-[(cyclopropylamino)methyl]-N,4-dimethyl-N-(thiophen-2-ylmethyl)pyrimidin-2-amine?
The IUPAC name of 5-[(cyclopropylamino)methyl]-N,4-dimethyl-N-(thiophen-2-ylmethyl)pyrimidin-2-amine (CID 83185706) is 5-[(cyclopropylamino)methyl]-N,4-dimethyl-N-(thiophen-2-ylmethyl)pyrimidin-2-amine.
What is the SMILES notation for 5-[(cyclopropylamino)methyl]-N,4-dimethyl-N-(thiophen-2-ylmethyl)pyrimidin-2-amine?
The canonical SMILES for 5-[(cyclopropylamino)methyl]-N,4-dimethyl-N-(thiophen-2-ylmethyl)pyrimidin-2-amine is Cc1nc(N(C)Cc2cccs2)ncc1CNC1CC1.
What is the InChIKey of 5-[(cyclopropylamino)methyl]-N,4-dimethyl-N-(thiophen-2-ylmethyl)pyrimidin-2-amine?
The InChIKey is NKLVHQZVHXMQTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4S/c1-11-12(8-16-13-5-6-13)9-17-15(18-11)19(2)10-14-4-3-7-20-14/h3-4,7,9,13,16H,5-6,8,10H2,1-2H3.
What are the key properties of 5-[(cyclopropylamino)methyl]-N,4-dimethyl-N-(thiophen-2-ylmethyl)pyrimidin-2-amine?
5-[(cyclopropylamino)methyl]-N,4-dimethyl-N-(thiophen-2-ylmethyl)pyrimidin-2-amine has a molecular weight of 288.42 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(cyclopropylamino)methyl]-N,4-dimethyl-N-(thiophen-2-ylmethyl)pyrimidin-2-amine is sourced from PubChem (CID 83185706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).