7-[(3-ethyl-2-pyridinyl)methyl]-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine

C16H19N5 — CID 82730631

IUPAC7-[(3-ethyl-2-pyridinyl)methyl]-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine
SMILESCCc1cccnc1Cn1c(C)c(C)c2c(N)ncnc21
InChIInChI=1S/C16H19N5/c1-4-12-6-5-7-18-13(12)8-21-11(3)10(2)14-15(17)19-9-20-16(14)21/h5-7,9H,4,8H2,1-3H3,(H2,17,19,20)
InChIKeyCARGFBULXPHMEU-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.64
Rot. Bonds3

About 7-[(3-ethyl-2-pyridinyl)methyl]-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine

7-[(3-ethyl-2-pyridinyl)methyl]-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 82730631) has the molecular formula C16H19N5 and a molecular weight of 281.36 g/mol. Its IUPAC name is 7-[(3-ethyl-2-pyridinyl)methyl]-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name7-[(3-ethyl-2-pyridinyl)methyl]-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID82730631
Molecular FormulaC16H19N5
Molecular Weight281.36 g/mol
Exact Mass281.16
IUPAC Name7-[(3-ethyl-2-pyridinyl)methyl]-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine
SMILESCCc1cccnc1Cn1c(C)c(C)c2c(N)ncnc21
InChIInChI=1S/C16H19N5/c1-4-12-6-5-7-18-13(12)8-21-11(3)10(2)14-15(17)19-9-20-16(14)21/h5-7,9H,4,8H2,1-3H3,(H2,17,19,20)
InChIKeyCARGFBULXPHMEU-UHFFFAOYSA-N
XLogP2.64
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-[(3-ethyl-2-pyridinyl)methyl]-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 7-[(3-ethyl-2-pyridinyl)methyl]-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine (CID 82730631) is 7-[(3-ethyl-2-pyridinyl)methyl]-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 7-[(3-ethyl-2-pyridinyl)methyl]-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 7-[(3-ethyl-2-pyridinyl)methyl]-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine is CCc1cccnc1Cn1c(C)c(C)c2c(N)ncnc21.
What is the InChIKey of 7-[(3-ethyl-2-pyridinyl)methyl]-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is CARGFBULXPHMEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5/c1-4-12-6-5-7-18-13(12)8-21-11(3)10(2)14-15(17)19-9-20-16(14)21/h5-7,9H,4,8H2,1-3H3,(H2,17,19,20).
What are the key properties of 7-[(3-ethyl-2-pyridinyl)methyl]-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine?
7-[(3-ethyl-2-pyridinyl)methyl]-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 281.36 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3-ethyl-2-pyridinyl)methyl]-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 82730631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).