N-[(5-bromopyrimidin-2-yl)methyl]-3-fluoro-3-methylazetidine-1-carboxamide

C10H12BrFN4O — CID 138020288

IUPACN-[(5-bromopyrimidin-2-yl)methyl]-3-fluoro-3-methylazetidine-1-carboxamide
SMILESCC1(F)CN(C(=O)NCc2ncc(Br)cn2)C1
InChIInChI=1S/C10H12BrFN4O/c1-10(12)5-16(6-10)9(17)15-4-8-13-2-7(11)3-14-8/h2-3H,4-6H2,1H3,(H,15,17)
InChIKeyZXUYKIGIYGHLAX-UHFFFAOYSA-N
MW303.13 g/mol
LogP1.49
Rot. Bonds2

About N-[(5-bromopyrimidin-2-yl)methyl]-3-fluoro-3-methylazetidine-1-carboxamide

N-[(5-bromopyrimidin-2-yl)methyl]-3-fluoro-3-methylazetidine-1-carboxamide (PubChem CID 138020288) has the molecular formula C10H12BrFN4O and a molecular weight of 303.13 g/mol. Its IUPAC name is N-[(5-bromopyrimidin-2-yl)methyl]-3-fluoro-3-methylazetidine-1-carboxamide.

Molecular Properties

Compound NameN-[(5-bromopyrimidin-2-yl)methyl]-3-fluoro-3-methylazetidine-1-carboxamide
PubChem CID138020288
Molecular FormulaC10H12BrFN4O
Molecular Weight303.13 g/mol
Exact Mass302.02
IUPAC NameN-[(5-bromopyrimidin-2-yl)methyl]-3-fluoro-3-methylazetidine-1-carboxamide
SMILESCC1(F)CN(C(=O)NCc2ncc(Br)cn2)C1
InChIInChI=1S/C10H12BrFN4O/c1-10(12)5-16(6-10)9(17)15-4-8-13-2-7(11)3-14-8/h2-3H,4-6H2,1H3,(H,15,17)
InChIKeyZXUYKIGIYGHLAX-UHFFFAOYSA-N
XLogP1.49
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.13
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(5-bromopyrimidin-2-yl)methyl]-3-fluoro-3-methylazetidine-1-carboxamide?
The IUPAC name of N-[(5-bromopyrimidin-2-yl)methyl]-3-fluoro-3-methylazetidine-1-carboxamide (CID 138020288) is N-[(5-bromopyrimidin-2-yl)methyl]-3-fluoro-3-methylazetidine-1-carboxamide.
What is the SMILES notation for N-[(5-bromopyrimidin-2-yl)methyl]-3-fluoro-3-methylazetidine-1-carboxamide?
The canonical SMILES for N-[(5-bromopyrimidin-2-yl)methyl]-3-fluoro-3-methylazetidine-1-carboxamide is CC1(F)CN(C(=O)NCc2ncc(Br)cn2)C1.
What is the InChIKey of N-[(5-bromopyrimidin-2-yl)methyl]-3-fluoro-3-methylazetidine-1-carboxamide?
The InChIKey is ZXUYKIGIYGHLAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrFN4O/c1-10(12)5-16(6-10)9(17)15-4-8-13-2-7(11)3-14-8/h2-3H,4-6H2,1H3,(H,15,17).
What are the key properties of N-[(5-bromopyrimidin-2-yl)methyl]-3-fluoro-3-methylazetidine-1-carboxamide?
N-[(5-bromopyrimidin-2-yl)methyl]-3-fluoro-3-methylazetidine-1-carboxamide has a molecular weight of 303.13 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromopyrimidin-2-yl)methyl]-3-fluoro-3-methylazetidine-1-carboxamide is sourced from PubChem (CID 138020288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).