N-[[2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-yl]methyl]cyclopropanamine

C13H16N4S — CID 55119707

IUPACN-[[2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-yl]methyl]cyclopropanamine
SMILESCc1nc(Cc2nccc(CNC3CC3)n2)cs1
InChIInChI=1S/C13H16N4S/c1-9-16-12(8-18-9)6-13-14-5-4-11(17-13)7-15-10-2-3-10/h4-5,8,10,15H,2-3,6-7H2,1H3
InChIKeyFJLIVEDEJZMAMK-UHFFFAOYSA-N
MW260.37 g/mol
LogP2.08
Rot. Bonds5

About N-[[2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-yl]methyl]cyclopropanamine

N-[[2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-yl]methyl]cyclopropanamine (PubChem CID 55119707) has the molecular formula C13H16N4S and a molecular weight of 260.37 g/mol. Its IUPAC name is N-[[2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-yl]methyl]cyclopropanamine
PubChem CID55119707
Molecular FormulaC13H16N4S
Molecular Weight260.37 g/mol
Exact Mass260.11
IUPAC NameN-[[2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-yl]methyl]cyclopropanamine
SMILESCc1nc(Cc2nccc(CNC3CC3)n2)cs1
InChIInChI=1S/C13H16N4S/c1-9-16-12(8-18-9)6-13-14-5-4-11(17-13)7-15-10-2-3-10/h4-5,8,10,15H,2-3,6-7H2,1H3
InChIKeyFJLIVEDEJZMAMK-UHFFFAOYSA-N
XLogP2.08
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.37
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-[[2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-yl]methyl]propan-2-amine
CID 62797614
2-methyl-N-[[2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-yl]methyl]propan-1-amine
CID 62797615
N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclohexanamine
CID 28780749
N-[(2-methyl-1,3-thiazol-4-yl)methyl]oxan-4-amine
CID 43609962
1-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-amine
CID 43215967
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,1-dioxothian-4-amine
CID 43615105
N-[[2-(propoxymethyl)pyrimidin-4-yl]methyl]cyclopropanamine
CID 62749345
N-[[2-(2-phenylethyl)pyrimidin-4-yl]methyl]cyclopropanamine
CID 62749177
N-[[4-ethyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 104841888
N-[(2-methylpyrimidin-4-yl)methyl]cyclohexanamine
CID 60962032
N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]triazol-4-yl]methyl]cyclopropanamine
CID 66193207
N-[(2-methyl-1,3-thiazol-4-yl)methyl]oxolan-3-amine
CID 63335816

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-yl]methyl]cyclopropanamine (CID 55119707) is N-[[2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-yl]methyl]cyclopropanamine is Cc1nc(Cc2nccc(CNC3CC3)n2)cs1.
What is the InChIKey of N-[[2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-yl]methyl]cyclopropanamine?
The InChIKey is FJLIVEDEJZMAMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4S/c1-9-16-12(8-18-9)6-13-14-5-4-11(17-13)7-15-10-2-3-10/h4-5,8,10,15H,2-3,6-7H2,1H3.
What are the key properties of N-[[2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-yl]methyl]cyclopropanamine?
N-[[2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-yl]methyl]cyclopropanamine has a molecular weight of 260.37 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 55119707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).