N-[1-(5-bromo-3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-6-methylpyrimidin-4-amine

C14H15BrFN5 — CID 171994184

IUPACN-[1-(5-bromo-3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-6-methylpyrimidin-4-amine
SMILESCc1cc(NC2CCN(c3ncc(Br)cc3F)C2)ncn1
InChIInChI=1S/C14H15BrFN5/c1-9-4-13(19-8-18-9)20-11-2-3-21(7-11)14-12(16)5-10(15)6-17-14/h4-6,8,11H,2-3,7H2,1H3,(H,18,19,20)
InChIKeyQNWVXCSYIJTEOS-UHFFFAOYSA-N
MW352.21 g/mol
LogP2.77
Rot. Bonds3

About N-[1-(5-bromo-3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-6-methylpyrimidin-4-amine

N-[1-(5-bromo-3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-6-methylpyrimidin-4-amine (PubChem CID 171994184) has the molecular formula C14H15BrFN5 and a molecular weight of 352.21 g/mol. Its IUPAC name is N-[1-(5-bromo-3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-6-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-(5-bromo-3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-6-methylpyrimidin-4-amine
PubChem CID171994184
Molecular FormulaC14H15BrFN5
Molecular Weight352.21 g/mol
Exact Mass351.05
IUPAC NameN-[1-(5-bromo-3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-6-methylpyrimidin-4-amine
SMILESCc1cc(NC2CCN(c3ncc(Br)cc3F)C2)ncn1
InChIInChI=1S/C14H15BrFN5/c1-9-4-13(19-8-18-9)20-11-2-3-21(7-11)14-12(16)5-10(15)6-17-14/h4-6,8,11H,2-3,7H2,1H3,(H,18,19,20)
InChIKeyQNWVXCSYIJTEOS-UHFFFAOYSA-N
XLogP2.77
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.21
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(5-bromo-3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-6-methylpyrimidin-4-amine?
The IUPAC name of N-[1-(5-bromo-3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-6-methylpyrimidin-4-amine (CID 171994184) is N-[1-(5-bromo-3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-6-methylpyrimidin-4-amine.
What is the SMILES notation for N-[1-(5-bromo-3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-6-methylpyrimidin-4-amine?
The canonical SMILES for N-[1-(5-bromo-3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-6-methylpyrimidin-4-amine is Cc1cc(NC2CCN(c3ncc(Br)cc3F)C2)ncn1.
What is the InChIKey of N-[1-(5-bromo-3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-6-methylpyrimidin-4-amine?
The InChIKey is QNWVXCSYIJTEOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrFN5/c1-9-4-13(19-8-18-9)20-11-2-3-21(7-11)14-12(16)5-10(15)6-17-14/h4-6,8,11H,2-3,7H2,1H3,(H,18,19,20).
What are the key properties of N-[1-(5-bromo-3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-6-methylpyrimidin-4-amine?
N-[1-(5-bromo-3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-6-methylpyrimidin-4-amine has a molecular weight of 352.21 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-bromo-3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-6-methylpyrimidin-4-amine is sourced from PubChem (CID 171994184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).