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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Related Compounds

N-(1,1-dioxothiolan-3-yl)-7-methylpyrrolo[2,3-d]pyrimidin-4-amine
CID 110874971
N-(2-chlorophenyl)-7-methylpyrrolo[2,3-d]pyrimidin-4-amine
CID 110875081
4,7-dimethylpyrrolo[2,3-d]pyrimidine
CID 58526542
N-cyclopropyl-7-[(2-fluorophenyl)methyl]pyrrolo[2,3-d]pyrimidin-4-amine
CID 10401508
N-cyclopropyl-7-[(3,3-difluoro-1-methylpiperidin-4-yl)methyl]pyrrolo[2,3-d]pyrimidin-4-amine
CID 156872035
[(1S,3R)-3-[(2-chloro-7-methylpyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclohexyl] carbamate
CID 175352994
7-methyl-N-(4-propan-2-ylphenyl)pyrrolo[2,3-d]pyrimidin-4-amine
CID 110875068
N-(4-ethylphenyl)-7-methylpyrrolo[2,3-d]pyrimidin-4-amine
CID 110875056
N-cyclohexyl-1-methylindol-4-amine
CID 159436359
N-(2-methoxyphenyl)-7-methylpyrrolo[2,3-d]pyrimidin-4-amine
CID 110875105
N-cyclobutylthieno[2,3-d]pyrimidin-4-amine
CID 13038304
6-N-cycloheptyl-4-N-cyclopentylpyrimidine-4,5,6-triamine
CID 19153951

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).