N-(4-fluorophenyl)-5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine

C14H13FN4 — CID 13492279

IUPACN-(4-fluorophenyl)-5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1[nH]c2ncnc(Nc3ccc(F)cc3)c2c1C
InChIInChI=1S/C14H13FN4/c1-8-9(2)18-13-12(8)14(17-7-16-13)19-11-5-3-10(15)4-6-11/h3-7H,1-2H3,(H2,16,17,18,19)
InChIKeyNIIYCBINHXIENT-UHFFFAOYSA-N
MW256.28 g/mol
LogP3.46
Rot. Bonds2

About N-(4-fluorophenyl)-5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine

N-(4-fluorophenyl)-5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 13492279) has the molecular formula C14H13FN4 and a molecular weight of 256.28 g/mol. Its IUPAC name is N-(4-fluorophenyl)-5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(4-fluorophenyl)-5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID13492279
Molecular FormulaC14H13FN4
Molecular Weight256.28 g/mol
Exact Mass256.11
IUPAC NameN-(4-fluorophenyl)-5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1[nH]c2ncnc(Nc3ccc(F)cc3)c2c1C
InChIInChI=1S/C14H13FN4/c1-8-9(2)18-13-12(8)14(17-7-16-13)19-11-5-3-10(15)4-6-11/h3-7H,1-2H3,(H2,16,17,18,19)
InChIKeyNIIYCBINHXIENT-UHFFFAOYSA-N
XLogP3.46
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.28
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-(4-fluorophenyl)-5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 13492279) is N-(4-fluorophenyl)-5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-(4-fluorophenyl)-5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-(4-fluorophenyl)-5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine is Cc1[nH]c2ncnc(Nc3ccc(F)cc3)c2c1C.
What is the InChIKey of N-(4-fluorophenyl)-5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is NIIYCBINHXIENT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN4/c1-8-9(2)18-13-12(8)14(17-7-16-13)19-11-5-3-10(15)4-6-11/h3-7H,1-2H3,(H2,16,17,18,19).
What are the key properties of N-(4-fluorophenyl)-5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
N-(4-fluorophenyl)-5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 256.28 g/mol, XLogP of 3.46, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 13492279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).