N-cyclopropyl-7-[(2-fluorophenyl)methyl]pyrrolo[2,3-d]pyrimidin-4-amine

C16H15FN4 — CID 10401508

IUPACN-cyclopropyl-7-[(2-fluorophenyl)methyl]pyrrolo[2,3-d]pyrimidin-4-amine
SMILESFc1ccccc1Cn1ccc2c(NC3CC3)ncnc21
InChIInChI=1S/C16H15FN4/c17-14-4-2-1-3-11(14)9-21-8-7-13-15(20-12-5-6-12)18-10-19-16(13)21/h1-4,7-8,10,12H,5-6,9H2,(H,18,19,20)
InChIKeyFDQFRXBCPPKWGX-UHFFFAOYSA-N
MW282.32 g/mol
LogP3.19
Rot. Bonds4

About N-cyclopropyl-7-[(2-fluorophenyl)methyl]pyrrolo[2,3-d]pyrimidin-4-amine

N-cyclopropyl-7-[(2-fluorophenyl)methyl]pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 10401508) has the molecular formula C16H15FN4 and a molecular weight of 282.32 g/mol. Its IUPAC name is N-cyclopropyl-7-[(2-fluorophenyl)methyl]pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-cyclopropyl-7-[(2-fluorophenyl)methyl]pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID10401508
Molecular FormulaC16H15FN4
Molecular Weight282.32 g/mol
Exact Mass282.13
IUPAC NameN-cyclopropyl-7-[(2-fluorophenyl)methyl]pyrrolo[2,3-d]pyrimidin-4-amine
SMILESFc1ccccc1Cn1ccc2c(NC3CC3)ncnc21
InChIInChI=1S/C16H15FN4/c17-14-4-2-1-3-11(14)9-21-8-7-13-15(20-12-5-6-12)18-10-19-16(13)21/h1-4,7-8,10,12H,5-6,9H2,(H,18,19,20)
InChIKeyFDQFRXBCPPKWGX-UHFFFAOYSA-N
XLogP3.19
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-7-[(2-fluorophenyl)methyl]pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-cyclopropyl-7-[(2-fluorophenyl)methyl]pyrrolo[2,3-d]pyrimidin-4-amine (CID 10401508) is N-cyclopropyl-7-[(2-fluorophenyl)methyl]pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-cyclopropyl-7-[(2-fluorophenyl)methyl]pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-cyclopropyl-7-[(2-fluorophenyl)methyl]pyrrolo[2,3-d]pyrimidin-4-amine is Fc1ccccc1Cn1ccc2c(NC3CC3)ncnc21.
What is the InChIKey of N-cyclopropyl-7-[(2-fluorophenyl)methyl]pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is FDQFRXBCPPKWGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN4/c17-14-4-2-1-3-11(14)9-21-8-7-13-15(20-12-5-6-12)18-10-19-16(13)21/h1-4,7-8,10,12H,5-6,9H2,(H,18,19,20).
What are the key properties of N-cyclopropyl-7-[(2-fluorophenyl)methyl]pyrrolo[2,3-d]pyrimidin-4-amine?
N-cyclopropyl-7-[(2-fluorophenyl)methyl]pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 282.32 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-7-[(2-fluorophenyl)methyl]pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 10401508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).