7-[(1,3-dimethylpyrazol-4-yl)methyl]-2,5,6-trimethylpyrrolo[2,3-d]pyrimidin-4-amine

C15H20N6 — CID 115991438

IUPAC7-[(1,3-dimethylpyrazol-4-yl)methyl]-2,5,6-trimethylpyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1nc(N)c2c(C)c(C)n(Cc3cn(C)nc3C)c2n1
InChIInChI=1S/C15H20N6/c1-8-10(3)21(7-12-6-20(5)19-9(12)2)15-13(8)14(16)17-11(4)18-15/h6H,7H2,1-5H3,(H2,16,17,18)
InChIKeySVIXSHBAZHNQTP-UHFFFAOYSA-N
MW284.37 g/mol
LogP2.03
Rot. Bonds2

About 7-[(1,3-dimethylpyrazol-4-yl)methyl]-2,5,6-trimethylpyrrolo[2,3-d]pyrimidin-4-amine

7-[(1,3-dimethylpyrazol-4-yl)methyl]-2,5,6-trimethylpyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 115991438) has the molecular formula C15H20N6 and a molecular weight of 284.37 g/mol. Its IUPAC name is 7-[(1,3-dimethylpyrazol-4-yl)methyl]-2,5,6-trimethylpyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name7-[(1,3-dimethylpyrazol-4-yl)methyl]-2,5,6-trimethylpyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID115991438
Molecular FormulaC15H20N6
Molecular Weight284.37 g/mol
Exact Mass284.17
IUPAC Name7-[(1,3-dimethylpyrazol-4-yl)methyl]-2,5,6-trimethylpyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1nc(N)c2c(C)c(C)n(Cc3cn(C)nc3C)c2n1
InChIInChI=1S/C15H20N6/c1-8-10(3)21(7-12-6-20(5)19-9(12)2)15-13(8)14(16)17-11(4)18-15/h6H,7H2,1-5H3,(H2,16,17,18)
InChIKeySVIXSHBAZHNQTP-UHFFFAOYSA-N
XLogP2.03
TPSA74.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.37
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[(1,3-dimethylpyrazol-4-yl)methyl]-2,5,6-trimethylpyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 7-[(1,3-dimethylpyrazol-4-yl)methyl]-2,5,6-trimethylpyrrolo[2,3-d]pyrimidin-4-amine (CID 115991438) is 7-[(1,3-dimethylpyrazol-4-yl)methyl]-2,5,6-trimethylpyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 7-[(1,3-dimethylpyrazol-4-yl)methyl]-2,5,6-trimethylpyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 7-[(1,3-dimethylpyrazol-4-yl)methyl]-2,5,6-trimethylpyrrolo[2,3-d]pyrimidin-4-amine is Cc1nc(N)c2c(C)c(C)n(Cc3cn(C)nc3C)c2n1.
What is the InChIKey of 7-[(1,3-dimethylpyrazol-4-yl)methyl]-2,5,6-trimethylpyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is SVIXSHBAZHNQTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6/c1-8-10(3)21(7-12-6-20(5)19-9(12)2)15-13(8)14(16)17-11(4)18-15/h6H,7H2,1-5H3,(H2,16,17,18).
What are the key properties of 7-[(1,3-dimethylpyrazol-4-yl)methyl]-2,5,6-trimethylpyrrolo[2,3-d]pyrimidin-4-amine?
7-[(1,3-dimethylpyrazol-4-yl)methyl]-2,5,6-trimethylpyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 284.37 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(1,3-dimethylpyrazol-4-yl)methyl]-2,5,6-trimethylpyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 115991438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).