2-[6-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]pyrimidin-4-yl]ethanamine

C15H22N6S — CID 45174622

IUPAC2-[6-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]pyrimidin-4-yl]ethanamine
SMILESCc1nc(CN2CCN(c3cc(CCN)ncn3)CC2)cs1
InChIInChI=1S/C15H22N6S/c1-12-19-14(10-22-12)9-20-4-6-21(7-5-20)15-8-13(2-3-16)17-11-18-15/h8,10-11H,2-7,9,16H2,1H3
InChIKeyOWOIUUHMVZMYNE-UHFFFAOYSA-N
MW318.45 g/mol
LogP1.06
Rot. Bonds5

About 2-[6-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]pyrimidin-4-yl]ethanamine

2-[6-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]pyrimidin-4-yl]ethanamine (PubChem CID 45174622) has the molecular formula C15H22N6S and a molecular weight of 318.45 g/mol. Its IUPAC name is 2-[6-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]pyrimidin-4-yl]ethanamine.

Molecular Properties

Compound Name2-[6-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]pyrimidin-4-yl]ethanamine
PubChem CID45174622
Molecular FormulaC15H22N6S
Molecular Weight318.45 g/mol
Exact Mass318.16
IUPAC Name2-[6-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]pyrimidin-4-yl]ethanamine
SMILESCc1nc(CN2CCN(c3cc(CCN)ncn3)CC2)cs1
InChIInChI=1S/C15H22N6S/c1-12-19-14(10-22-12)9-20-4-6-21(7-5-20)15-8-13(2-3-16)17-11-18-15/h8,10-11H,2-7,9,16H2,1H3
InChIKeyOWOIUUHMVZMYNE-UHFFFAOYSA-N
XLogP1.06
TPSA71.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.45
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[6-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]pyrimidin-4-yl]ethanamine?
The IUPAC name of 2-[6-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]pyrimidin-4-yl]ethanamine (CID 45174622) is 2-[6-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]pyrimidin-4-yl]ethanamine.
What is the SMILES notation for 2-[6-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]pyrimidin-4-yl]ethanamine?
The canonical SMILES for 2-[6-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]pyrimidin-4-yl]ethanamine is Cc1nc(CN2CCN(c3cc(CCN)ncn3)CC2)cs1.
What is the InChIKey of 2-[6-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]pyrimidin-4-yl]ethanamine?
The InChIKey is OWOIUUHMVZMYNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6S/c1-12-19-14(10-22-12)9-20-4-6-21(7-5-20)15-8-13(2-3-16)17-11-18-15/h8,10-11H,2-7,9,16H2,1H3.
What are the key properties of 2-[6-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]pyrimidin-4-yl]ethanamine?
2-[6-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]pyrimidin-4-yl]ethanamine has a molecular weight of 318.45 g/mol, XLogP of 1.06, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]pyrimidin-4-yl]ethanamine is sourced from PubChem (CID 45174622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).