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

C16H19N5 — CID 114957254

IUPAC2,5,6-trimethyl-7-[(4-methyl-3-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1nc(N)c2c(C)c(C)n(Cc3cnccc3C)c2n1
InChIInChI=1S/C16H19N5/c1-9-5-6-18-7-13(9)8-21-11(3)10(2)14-15(17)19-12(4)20-16(14)21/h5-7H,8H2,1-4H3,(H2,17,19,20)
InChIKeyAHRPHBNVFMHEPW-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.69
Rot. Bonds2

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

2,5,6-trimethyl-7-[(4-methyl-3-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 114957254) has the molecular formula C16H19N5 and a molecular weight of 281.36 g/mol. Its IUPAC name is 2,5,6-trimethyl-7-[(4-methyl-3-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2,5,6-trimethyl-7-[(4-methyl-3-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID114957254
Molecular FormulaC16H19N5
Molecular Weight281.36 g/mol
Exact Mass281.16
IUPAC Name2,5,6-trimethyl-7-[(4-methyl-3-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1nc(N)c2c(C)c(C)n(Cc3cnccc3C)c2n1
InChIInChI=1S/C16H19N5/c1-9-5-6-18-7-13(9)8-21-11(3)10(2)14-15(17)19-12(4)20-16(14)21/h5-7H,8H2,1-4H3,(H2,17,19,20)
InChIKeyAHRPHBNVFMHEPW-UHFFFAOYSA-N
XLogP2.69
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,5,6-trimethyl-7-[(4-methyl-3-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2,5,6-trimethyl-7-[(4-methyl-3-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-4-amine (CID 114957254) is 2,5,6-trimethyl-7-[(4-methyl-3-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2,5,6-trimethyl-7-[(4-methyl-3-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2,5,6-trimethyl-7-[(4-methyl-3-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-4-amine is Cc1nc(N)c2c(C)c(C)n(Cc3cnccc3C)c2n1.
What is the InChIKey of 2,5,6-trimethyl-7-[(4-methyl-3-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is AHRPHBNVFMHEPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5/c1-9-5-6-18-7-13(9)8-21-11(3)10(2)14-15(17)19-12(4)20-16(14)21/h5-7H,8H2,1-4H3,(H2,17,19,20).
What are the key properties of 2,5,6-trimethyl-7-[(4-methyl-3-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-4-amine?
2,5,6-trimethyl-7-[(4-methyl-3-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 281.36 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,6-trimethyl-7-[(4-methyl-3-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 114957254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).