N-cyclobutyl-7-methylpyrrolo[2,3-d]pyrimidin-4-amine

C11H14N4 — CID 172901042

IUPACN-cyclobutyl-7-methylpyrrolo[2,3-d]pyrimidin-4-amine
SMILESCn1ccc2c(NC3CCC3)ncnc21
InChIInChI=1S/C11H14N4/c1-15-6-5-9-10(12-7-13-11(9)15)14-8-3-2-4-8/h5-8H,2-4H2,1H3,(H,12,13,14)
InChIKeyCKQONBUOFZUELW-UHFFFAOYSA-N
MW202.26 g/mol
LogP1.93
Rot. Bonds2

About N-cyclobutyl-7-methylpyrrolo[2,3-d]pyrimidin-4-amine

N-cyclobutyl-7-methylpyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 172901042) has the molecular formula C11H14N4 and a molecular weight of 202.26 g/mol. Its IUPAC name is N-cyclobutyl-7-methylpyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-cyclobutyl-7-methylpyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID172901042
Molecular FormulaC11H14N4
Molecular Weight202.26 g/mol
Exact Mass202.12
IUPAC NameN-cyclobutyl-7-methylpyrrolo[2,3-d]pyrimidin-4-amine
SMILESCn1ccc2c(NC3CCC3)ncnc21
InChIInChI=1S/C11H14N4/c1-15-6-5-9-10(12-7-13-11(9)15)14-8-3-2-4-8/h5-8H,2-4H2,1H3,(H,12,13,14)
InChIKeyCKQONBUOFZUELW-UHFFFAOYSA-N
XLogP1.93
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-7-methylpyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-cyclobutyl-7-methylpyrrolo[2,3-d]pyrimidin-4-amine (CID 172901042) is N-cyclobutyl-7-methylpyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-cyclobutyl-7-methylpyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-cyclobutyl-7-methylpyrrolo[2,3-d]pyrimidin-4-amine is Cn1ccc2c(NC3CCC3)ncnc21.
What is the InChIKey of N-cyclobutyl-7-methylpyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is CKQONBUOFZUELW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4/c1-15-6-5-9-10(12-7-13-11(9)15)14-8-3-2-4-8/h5-8H,2-4H2,1H3,(H,12,13,14).
What are the key properties of N-cyclobutyl-7-methylpyrrolo[2,3-d]pyrimidin-4-amine?
N-cyclobutyl-7-methylpyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 202.26 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-7-methylpyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 172901042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).