[1-[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]pyrrolidin-2-yl]methanamine

C12H15N5S — CID 103279299

IUPAC[1-[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]pyrrolidin-2-yl]methanamine
SMILESNCC1CCCN1c1nccc(-c2nccs2)n1
InChIInChI=1S/C12H15N5S/c13-8-9-2-1-6-17(9)12-15-4-3-10(16-12)11-14-5-7-18-11/h3-5,7,9H,1-2,6,8,13H2
InChIKeyMYDKCEQXXGLFEK-UHFFFAOYSA-N
MW261.35 g/mol
LogP1.53
Rot. Bonds3

About [1-[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]pyrrolidin-2-yl]methanamine

[1-[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]pyrrolidin-2-yl]methanamine (PubChem CID 103279299) has the molecular formula C12H15N5S and a molecular weight of 261.35 g/mol. Its IUPAC name is [1-[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]pyrrolidin-2-yl]methanamine.

Molecular Properties

Compound Name[1-[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]pyrrolidin-2-yl]methanamine
PubChem CID103279299
Molecular FormulaC12H15N5S
Molecular Weight261.35 g/mol
Exact Mass261.10
IUPAC Name[1-[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]pyrrolidin-2-yl]methanamine
SMILESNCC1CCCN1c1nccc(-c2nccs2)n1
InChIInChI=1S/C12H15N5S/c13-8-9-2-1-6-17(9)12-15-4-3-10(16-12)11-14-5-7-18-11/h3-5,7,9H,1-2,6,8,13H2
InChIKeyMYDKCEQXXGLFEK-UHFFFAOYSA-N
XLogP1.53
TPSA67.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]pyrrolidin-2-yl]methanamine?
The IUPAC name of [1-[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]pyrrolidin-2-yl]methanamine (CID 103279299) is [1-[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]pyrrolidin-2-yl]methanamine.
What is the SMILES notation for [1-[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]pyrrolidin-2-yl]methanamine?
The canonical SMILES for [1-[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]pyrrolidin-2-yl]methanamine is NCC1CCCN1c1nccc(-c2nccs2)n1.
What is the InChIKey of [1-[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]pyrrolidin-2-yl]methanamine?
The InChIKey is MYDKCEQXXGLFEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5S/c13-8-9-2-1-6-17(9)12-15-4-3-10(16-12)11-14-5-7-18-11/h3-5,7,9H,1-2,6,8,13H2.
What are the key properties of [1-[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]pyrrolidin-2-yl]methanamine?
[1-[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]pyrrolidin-2-yl]methanamine has a molecular weight of 261.35 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]pyrrolidin-2-yl]methanamine is sourced from PubChem (CID 103279299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).