[1-[7-(4-methyl-1,3-thiazol-2-yl)pyrrolo[2,3-d]pyrimidin-4-yl]piperidin-4-yl]methanamine

C16H20N6S — CID 91239021

IUPAC[1-[7-(4-methyl-1,3-thiazol-2-yl)pyrrolo[2,3-d]pyrimidin-4-yl]piperidin-4-yl]methanamine
SMILESCc1csc(-n2ccc3c(N4CCC(CN)CC4)ncnc32)n1
InChIInChI=1S/C16H20N6S/c1-11-9-23-16(20-11)22-7-4-13-14(18-10-19-15(13)22)21-5-2-12(8-17)3-6-21/h4,7,9-10,12H,2-3,5-6,8,17H2,1H3
InChIKeyLICYBZPSRLLTAG-UHFFFAOYSA-N
MW328.45 g/mol
LogP2.36
Rot. Bonds3

About [1-[7-(4-methyl-1,3-thiazol-2-yl)pyrrolo[2,3-d]pyrimidin-4-yl]piperidin-4-yl]methanamine

[1-[7-(4-methyl-1,3-thiazol-2-yl)pyrrolo[2,3-d]pyrimidin-4-yl]piperidin-4-yl]methanamine (PubChem CID 91239021) has the molecular formula C16H20N6S and a molecular weight of 328.45 g/mol. Its IUPAC name is [1-[7-(4-methyl-1,3-thiazol-2-yl)pyrrolo[2,3-d]pyrimidin-4-yl]piperidin-4-yl]methanamine.

Molecular Properties

Compound Name[1-[7-(4-methyl-1,3-thiazol-2-yl)pyrrolo[2,3-d]pyrimidin-4-yl]piperidin-4-yl]methanamine
PubChem CID91239021
Molecular FormulaC16H20N6S
Molecular Weight328.45 g/mol
Exact Mass328.15
IUPAC Name[1-[7-(4-methyl-1,3-thiazol-2-yl)pyrrolo[2,3-d]pyrimidin-4-yl]piperidin-4-yl]methanamine
SMILESCc1csc(-n2ccc3c(N4CCC(CN)CC4)ncnc32)n1
InChIInChI=1S/C16H20N6S/c1-11-9-23-16(20-11)22-7-4-13-14(18-10-19-15(13)22)21-5-2-12(8-17)3-6-21/h4,7,9-10,12H,2-3,5-6,8,17H2,1H3
InChIKeyLICYBZPSRLLTAG-UHFFFAOYSA-N
XLogP2.36
TPSA72.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.45
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [1-[7-(4-methyl-1,3-thiazol-2-yl)pyrrolo[2,3-d]pyrimidin-4-yl]piperidin-4-yl]methanamine?
The IUPAC name of [1-[7-(4-methyl-1,3-thiazol-2-yl)pyrrolo[2,3-d]pyrimidin-4-yl]piperidin-4-yl]methanamine (CID 91239021) is [1-[7-(4-methyl-1,3-thiazol-2-yl)pyrrolo[2,3-d]pyrimidin-4-yl]piperidin-4-yl]methanamine.
What is the SMILES notation for [1-[7-(4-methyl-1,3-thiazol-2-yl)pyrrolo[2,3-d]pyrimidin-4-yl]piperidin-4-yl]methanamine?
The canonical SMILES for [1-[7-(4-methyl-1,3-thiazol-2-yl)pyrrolo[2,3-d]pyrimidin-4-yl]piperidin-4-yl]methanamine is Cc1csc(-n2ccc3c(N4CCC(CN)CC4)ncnc32)n1.
What is the InChIKey of [1-[7-(4-methyl-1,3-thiazol-2-yl)pyrrolo[2,3-d]pyrimidin-4-yl]piperidin-4-yl]methanamine?
The InChIKey is LICYBZPSRLLTAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6S/c1-11-9-23-16(20-11)22-7-4-13-14(18-10-19-15(13)22)21-5-2-12(8-17)3-6-21/h4,7,9-10,12H,2-3,5-6,8,17H2,1H3.
What are the key properties of [1-[7-(4-methyl-1,3-thiazol-2-yl)pyrrolo[2,3-d]pyrimidin-4-yl]piperidin-4-yl]methanamine?
[1-[7-(4-methyl-1,3-thiazol-2-yl)pyrrolo[2,3-d]pyrimidin-4-yl]piperidin-4-yl]methanamine has a molecular weight of 328.45 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[7-(4-methyl-1,3-thiazol-2-yl)pyrrolo[2,3-d]pyrimidin-4-yl]piperidin-4-yl]methanamine is sourced from PubChem (CID 91239021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).