N-[(4-methyl-2-pyrimidin-4-yl-1,3-thiazol-5-yl)methyl]cyclopropanamine

C12H14N4S — CID 63990433

IUPACN-[(4-methyl-2-pyrimidin-4-yl-1,3-thiazol-5-yl)methyl]cyclopropanamine
SMILESCc1nc(-c2ccncn2)sc1CNC1CC1
InChIInChI=1S/C12H14N4S/c1-8-11(6-14-9-2-3-9)17-12(16-8)10-4-5-13-7-15-10/h4-5,7,9,14H,2-3,6H2,1H3
InChIKeyXSVUWZVTKNYGRS-UHFFFAOYSA-N
MW246.34 g/mol
LogP2.16
Rot. Bonds4

About N-[(4-methyl-2-pyrimidin-4-yl-1,3-thiazol-5-yl)methyl]cyclopropanamine

N-[(4-methyl-2-pyrimidin-4-yl-1,3-thiazol-5-yl)methyl]cyclopropanamine (PubChem CID 63990433) has the molecular formula C12H14N4S and a molecular weight of 246.34 g/mol. Its IUPAC name is N-[(4-methyl-2-pyrimidin-4-yl-1,3-thiazol-5-yl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(4-methyl-2-pyrimidin-4-yl-1,3-thiazol-5-yl)methyl]cyclopropanamine
PubChem CID63990433
Molecular FormulaC12H14N4S
Molecular Weight246.34 g/mol
Exact Mass246.09
IUPAC NameN-[(4-methyl-2-pyrimidin-4-yl-1,3-thiazol-5-yl)methyl]cyclopropanamine
SMILESCc1nc(-c2ccncn2)sc1CNC1CC1
InChIInChI=1S/C12H14N4S/c1-8-11(6-14-9-2-3-9)17-12(16-8)10-4-5-13-7-15-10/h4-5,7,9,14H,2-3,6H2,1H3
InChIKeyXSVUWZVTKNYGRS-UHFFFAOYSA-N
XLogP2.16
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.34
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-2-pyrimidin-4-yl-1,3-thiazol-5-yl)methyl]cyclopropanamine?
The IUPAC name of N-[(4-methyl-2-pyrimidin-4-yl-1,3-thiazol-5-yl)methyl]cyclopropanamine (CID 63990433) is N-[(4-methyl-2-pyrimidin-4-yl-1,3-thiazol-5-yl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(4-methyl-2-pyrimidin-4-yl-1,3-thiazol-5-yl)methyl]cyclopropanamine?
The canonical SMILES for N-[(4-methyl-2-pyrimidin-4-yl-1,3-thiazol-5-yl)methyl]cyclopropanamine is Cc1nc(-c2ccncn2)sc1CNC1CC1.
What is the InChIKey of N-[(4-methyl-2-pyrimidin-4-yl-1,3-thiazol-5-yl)methyl]cyclopropanamine?
The InChIKey is XSVUWZVTKNYGRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4S/c1-8-11(6-14-9-2-3-9)17-12(16-8)10-4-5-13-7-15-10/h4-5,7,9,14H,2-3,6H2,1H3.
What are the key properties of N-[(4-methyl-2-pyrimidin-4-yl-1,3-thiazol-5-yl)methyl]cyclopropanamine?
N-[(4-methyl-2-pyrimidin-4-yl-1,3-thiazol-5-yl)methyl]cyclopropanamine has a molecular weight of 246.34 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyl-2-pyrimidin-4-yl-1,3-thiazol-5-yl)methyl]cyclopropanamine is sourced from PubChem (CID 63990433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).