N-[(2-pyridin-2-ylpyrimidin-5-yl)methyl]-N-(1,3-thiazol-2-ylmethyl)cyclopropanamine

C17H17N5S — CID 77095383

IUPACN-[(2-pyridin-2-ylpyrimidin-5-yl)methyl]-N-(1,3-thiazol-2-ylmethyl)cyclopropanamine
SMILESc1ccc(-c2ncc(CN(Cc3nccs3)C3CC3)cn2)nc1
InChIInChI=1S/C17H17N5S/c1-2-6-18-15(3-1)17-20-9-13(10-21-17)11-22(14-4-5-14)12-16-19-7-8-23-16/h1-3,6-10,14H,4-5,11-12H2
InChIKeyZHFUABOWQPMMST-UHFFFAOYSA-N
MW323.43 g/mol
LogP3.16
Rot. Bonds6

About N-[(2-pyridin-2-ylpyrimidin-5-yl)methyl]-N-(1,3-thiazol-2-ylmethyl)cyclopropanamine

N-[(2-pyridin-2-ylpyrimidin-5-yl)methyl]-N-(1,3-thiazol-2-ylmethyl)cyclopropanamine (PubChem CID 77095383) has the molecular formula C17H17N5S and a molecular weight of 323.43 g/mol. Its IUPAC name is N-[(2-pyridin-2-ylpyrimidin-5-yl)methyl]-N-(1,3-thiazol-2-ylmethyl)cyclopropanamine.

Molecular Properties

Compound NameN-[(2-pyridin-2-ylpyrimidin-5-yl)methyl]-N-(1,3-thiazol-2-ylmethyl)cyclopropanamine
PubChem CID77095383
Molecular FormulaC17H17N5S
Molecular Weight323.43 g/mol
Exact Mass323.12
IUPAC NameN-[(2-pyridin-2-ylpyrimidin-5-yl)methyl]-N-(1,3-thiazol-2-ylmethyl)cyclopropanamine
SMILESc1ccc(-c2ncc(CN(Cc3nccs3)C3CC3)cn2)nc1
InChIInChI=1S/C17H17N5S/c1-2-6-18-15(3-1)17-20-9-13(10-21-17)11-22(14-4-5-14)12-16-19-7-8-23-16/h1-3,6-10,14H,4-5,11-12H2
InChIKeyZHFUABOWQPMMST-UHFFFAOYSA-N
XLogP3.16
TPSA54.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.43
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2-pyridin-2-ylpyrimidin-5-yl)methyl]-N-(1,3-thiazol-2-ylmethyl)cyclopropanamine?
The IUPAC name of N-[(2-pyridin-2-ylpyrimidin-5-yl)methyl]-N-(1,3-thiazol-2-ylmethyl)cyclopropanamine (CID 77095383) is N-[(2-pyridin-2-ylpyrimidin-5-yl)methyl]-N-(1,3-thiazol-2-ylmethyl)cyclopropanamine.
What is the SMILES notation for N-[(2-pyridin-2-ylpyrimidin-5-yl)methyl]-N-(1,3-thiazol-2-ylmethyl)cyclopropanamine?
The canonical SMILES for N-[(2-pyridin-2-ylpyrimidin-5-yl)methyl]-N-(1,3-thiazol-2-ylmethyl)cyclopropanamine is c1ccc(-c2ncc(CN(Cc3nccs3)C3CC3)cn2)nc1.
What is the InChIKey of N-[(2-pyridin-2-ylpyrimidin-5-yl)methyl]-N-(1,3-thiazol-2-ylmethyl)cyclopropanamine?
The InChIKey is ZHFUABOWQPMMST-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5S/c1-2-6-18-15(3-1)17-20-9-13(10-21-17)11-22(14-4-5-14)12-16-19-7-8-23-16/h1-3,6-10,14H,4-5,11-12H2.
What are the key properties of N-[(2-pyridin-2-ylpyrimidin-5-yl)methyl]-N-(1,3-thiazol-2-ylmethyl)cyclopropanamine?
N-[(2-pyridin-2-ylpyrimidin-5-yl)methyl]-N-(1,3-thiazol-2-ylmethyl)cyclopropanamine has a molecular weight of 323.43 g/mol, XLogP of 3.16, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-pyridin-2-ylpyrimidin-5-yl)methyl]-N-(1,3-thiazol-2-ylmethyl)cyclopropanamine is sourced from PubChem (CID 77095383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).