2-[(3-fluoro-4-pyridinyl)methyl]-7-methylpyrrolo[2,3-d]pyrimidin-4-amine

C13H12FN5 — CID 175868322

IUPAC2-[(3-fluoro-4-pyridinyl)methyl]-7-methylpyrrolo[2,3-d]pyrimidin-4-amine
SMILESCn1ccc2c(N)nc(Cc3ccncc3F)nc21
InChIInChI=1S/C13H12FN5/c1-19-5-3-9-12(15)17-11(18-13(9)19)6-8-2-4-16-7-10(8)14/h2-5,7H,6H2,1H3,(H2,15,17,18)
InChIKeySGMJLUOTXNOPIE-UHFFFAOYSA-N
MW257.27 g/mol
LogP1.68
Rot. Bonds2

About 2-[(3-fluoro-4-pyridinyl)methyl]-7-methylpyrrolo[2,3-d]pyrimidin-4-amine

2-[(3-fluoro-4-pyridinyl)methyl]-7-methylpyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 175868322) has the molecular formula C13H12FN5 and a molecular weight of 257.27 g/mol. Its IUPAC name is 2-[(3-fluoro-4-pyridinyl)methyl]-7-methylpyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[(3-fluoro-4-pyridinyl)methyl]-7-methylpyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID175868322
Molecular FormulaC13H12FN5
Molecular Weight257.27 g/mol
Exact Mass257.11
IUPAC Name2-[(3-fluoro-4-pyridinyl)methyl]-7-methylpyrrolo[2,3-d]pyrimidin-4-amine
SMILESCn1ccc2c(N)nc(Cc3ccncc3F)nc21
InChIInChI=1S/C13H12FN5/c1-19-5-3-9-12(15)17-11(18-13(9)19)6-8-2-4-16-7-10(8)14/h2-5,7H,6H2,1H3,(H2,15,17,18)
InChIKeySGMJLUOTXNOPIE-UHFFFAOYSA-N
XLogP1.68
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.27
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-methylpyrrolo[2,3-d]pyrimidine-2,4-diamine
CID 58813306
3-fluoro-4-(fluoromethyl)pyridine
CID 105427398
4-fluoro-1-methylpyrrolo[2,3-b]pyridine
CID 58195536
3-fluoro-4-(methoxymethyl)pyridine
CID 143620796
ethane;N-[(3-fluoro-4-pyridinyl)methyl]acetamide
CID 171522941
N-[(3-fluoro-4-pyridinyl)methyl]-2-methylpropanamide
CID 171523645
3-ethyl-N-(3-fluoro-4-pyridinyl)-N',1-dimethylpyrrole-2-carboximidamide
CID 126499908
5-fluoro-2-[(2-fluorophenyl)methyl]-6-methylpyrimidin-4-amine
CID 66000568
2-[(2-fluorophenyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride
CID 175868327
N-[2-(3-fluoro-4-pyridinyl)ethyl]propan-2-amine
CID 104738943
2-amino-7-methyl-3H-pyrrolo[2,3-d]pyrimidin-4-one;ethane
CID 142932958
1-ethyl-4-[(3-fluoro-4-pyridinyl)methyl]piperazine
CID 126759788

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluoro-4-pyridinyl)methyl]-7-methylpyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-[(3-fluoro-4-pyridinyl)methyl]-7-methylpyrrolo[2,3-d]pyrimidin-4-amine (CID 175868322) is 2-[(3-fluoro-4-pyridinyl)methyl]-7-methylpyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-[(3-fluoro-4-pyridinyl)methyl]-7-methylpyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-[(3-fluoro-4-pyridinyl)methyl]-7-methylpyrrolo[2,3-d]pyrimidin-4-amine is Cn1ccc2c(N)nc(Cc3ccncc3F)nc21.
What is the InChIKey of 2-[(3-fluoro-4-pyridinyl)methyl]-7-methylpyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is SGMJLUOTXNOPIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN5/c1-19-5-3-9-12(15)17-11(18-13(9)19)6-8-2-4-16-7-10(8)14/h2-5,7H,6H2,1H3,(H2,15,17,18).
What are the key properties of 2-[(3-fluoro-4-pyridinyl)methyl]-7-methylpyrrolo[2,3-d]pyrimidin-4-amine?
2-[(3-fluoro-4-pyridinyl)methyl]-7-methylpyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 257.27 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluoro-4-pyridinyl)methyl]-7-methylpyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 175868322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).