N-methyl-N-[4-methyl-1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine

C17H22N6S — CID 22282893

IUPACN-methyl-N-[4-methyl-1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCC1CCN(Cc2nccs2)CC1N(C)c1ncnc2[nH]ccc12
InChIInChI=1S/C17H22N6S/c1-12-4-7-23(10-15-18-6-8-24-15)9-14(12)22(2)17-13-3-5-19-16(13)20-11-21-17/h3,5-6,8,11-12,14H,4,7,9-10H2,1-2H3,(H,19,20,21)
InChIKeyAHXCJQMWLAFGPB-UHFFFAOYSA-N
MW342.47 g/mol
LogP2.76
Rot. Bonds4

About N-methyl-N-[4-methyl-1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine

N-methyl-N-[4-methyl-1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 22282893) has the molecular formula C17H22N6S and a molecular weight of 342.47 g/mol. Its IUPAC name is N-methyl-N-[4-methyl-1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-N-[4-methyl-1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID22282893
Molecular FormulaC17H22N6S
Molecular Weight342.47 g/mol
Exact Mass342.16
IUPAC NameN-methyl-N-[4-methyl-1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCC1CCN(Cc2nccs2)CC1N(C)c1ncnc2[nH]ccc12
InChIInChI=1S/C17H22N6S/c1-12-4-7-23(10-15-18-6-8-24-15)9-14(12)22(2)17-13-3-5-19-16(13)20-11-21-17/h3,5-6,8,11-12,14H,4,7,9-10H2,1-2H3,(H,19,20,21)
InChIKeyAHXCJQMWLAFGPB-UHFFFAOYSA-N
XLogP2.76
TPSA60.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.47
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[4-methyl-1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-methyl-N-[4-methyl-1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 22282893) is N-methyl-N-[4-methyl-1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-methyl-N-[4-methyl-1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-methyl-N-[4-methyl-1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine is CC1CCN(Cc2nccs2)CC1N(C)c1ncnc2[nH]ccc12.
What is the InChIKey of N-methyl-N-[4-methyl-1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is AHXCJQMWLAFGPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6S/c1-12-4-7-23(10-15-18-6-8-24-15)9-14(12)22(2)17-13-3-5-19-16(13)20-11-21-17/h3,5-6,8,11-12,14H,4,7,9-10H2,1-2H3,(H,19,20,21).
What are the key properties of N-methyl-N-[4-methyl-1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
N-methyl-N-[4-methyl-1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 342.47 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[4-methyl-1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 22282893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).